data_block_1
_audit_creation_date         'Tue Oct 15 16:22:12 2019'
_audit_creation_method       'FINDSYM'


_chemical_name_systematic
;
catena-((μ₆-oxalato)-(μ₄-oxalato)-di-cadmium)
;
_chemical_name_common            'Cadmium oxalate'
_chemical_formula_weight         200.43


_symmetry_cell_setting      orthorhombic
_exptl_crystal_description  structure obtained through theoretical modelling
_diffrn_measurement_device_type structure obtained through theoretical modelling
_diffrn_measured_fraction_theta_full structure obtained through theoretical modelling
_cell_measurement_reflns_used structure obtained through theoretical modelling
_cell_measurement_theta_min structure obtained through theoretical modelling
_cell_measurement_theta_max structure obtained through theoretical modelling
_cell_measurement_temperature 0 K, via geometry optimization
_diffrn_reflns_number structure obtained through theoretical modelling
_diffrn_reflns_av_R_equivalents structure obtained through theoretical modelling


_cell_length_a    7.5220814800
_cell_length_b    6.0836040300
_cell_length_c    9.4221623600
_cell_angle_alpha 90.0000000000
_cell_angle_beta  90.0000000000
_cell_angle_gamma 90.0000000000
_cell_volume      431.1710127835
 
_symmetry_space_group_name_H-M "P m n a"
_symmetry_Int_Tables_number 53
_space_group.reference_setting '-P 2ac 2'
_space_group.transform_Pp_abc a,b,c;0,0,0
 
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 x,-y,-z
3 -x+1/2,y,-z+1/2
4 -x+1/2,-y,z+1/2
5 -x,-y,-z
6 -x,y,z
7 x+1/2,-y,z+1/2
8 x+1/2,y,-z+1/2
 
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_fract_symmform
Cd1 Cd   4 h 0.00000 0.59198  0.18298 1.00000 0,Dy,Dz  
C1  C    4 h 0.00000 0.06775  0.07044 1.00000 0,Dy,Dz  
O1  O    4 h 0.00000 -0.03119 0.18625 1.00000 0,Dy,Dz  
O2  O    4 h 0.00000 0.27440  0.05402 1.00000 0,Dy,Dz  
C2  C    4 f 0.39641 0.50000  0.00000 1.00000 Dx,0,0   
O3  O    8 i 0.32108 0.54937  0.11484 1.00000 Dx,Dy,Dz 
 



