data_CSD_CIF_MOLDRAW
_audit_creation_date 03-07-2016
_audit_creation_method MOLDRAW
_chemical_formula_sum 'H15 C14 Br1 Te1'
_chemical_formula_moiety
;
H15 C14 Br1 Te1
;
loop_
_publ_author_name
Ugliengo
_cell_volume 1145.5657
_exptl_crystal_density_diffrn ?
_diffrn_ambient_temperature ?
_refine_ls_R_factor_gt ?
_refine_ls_wR_factor_gt ?
_symmetry_space_group_name_H-M 'P 21 21 21'
_symmetry_cell_setting orthorhombic
_symmetry_Int_Tables_number 19
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
_cell_length_a  7.1975772
_cell_length_b  12.0220534
_cell_length_c  13.2389947
_cell_angle_alpha  90
_cell_angle_beta  90
_cell_angle_gamma  90
_cell_formula_units_Z 4
loop_
_atom_type_symbol
_atom_type_radius_bond
H  .38
C  .77
Br 1.14
Te 1.4
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
H1   H     0.381008351355   0.122930161778   0.081727157468   
H2   H     0.564355715479   0.481409325437   0.445380479501   
H3   H     0.579691901005   0.124922957453   0.228637555984   
H4   H     0.504410029053   0.486840998006   0.263643189855   
H5   H     0.228822741336   0.422595020378   0.361242730105   
H6   H     0.163359200096   0.489913914763   0.248976744825   
H7   H     0.019624493251   0.060888984565   0.093643989034   
H8   H     0.887388819462   0.166913945470   0.153749401381   
H9   H     0.457473166929   0.063513258403   0.494916788940   
H10   H     0.394776753026   0.253257882868   0.441785634208   
H11   H     0.632425068423   0.358739030497   0.344777620560   
H12   H     0.936944914903   0.372420412419   0.273367785183   
H13   H     0.245904296605   0.288615912858   0.236461897945   
H14   H     0.313824503839   0.098344812391   0.295882903653   
H15   H     0.906818759737   0.493064538943   0.109285832361   
C1   C     0.487844510533   0.059052168666   0.086027087714   
C2   C     0.575436409307   0.044845425790   0.189665406983   
C3   C     0.771607278881   0.002296246461   0.177828436566   
C4   C     0.881349807109   0.085924417053   0.117466551564   
C5   C     0.737532718066   0.061471064619   0.441211367533   
C6   C     0.568320285701   0.109485897193   0.458808657454   
C7   C     0.530928081923   0.218714436693   0.426976591950   
C8   C     0.661849197663   0.276985817950   0.374881053291   
C9   C     0.837368110320   0.230246551554   0.354792270546   
C10   C     0.972555072370   0.289837691417   0.299932107591   
C11   C     0.140848710102   0.243217617182   0.278374770557   
C12   C     0.180415325429   0.135080525510   0.311734648554   
C13   C     0.054418589291   0.076254509839   0.366654626252   
C14   C     0.878225227193   0.121042170659   0.389408182730   
Br1   Br     0.626864106006   0.341055178651   0.107136783089   
Te1   Te     0.212745394803   0.392223216031   0.013527466641   
#END
