#====================================================================== # CRYSTAL DATA #---------------------------------------------------------------------- _chemical_formula_structural 'Ge N' _cell_length_a 3.01101 _cell_length_b 3.01247 _cell_length_c 7.31833 _cell_angle_alpha 91.60750 _cell_angle_beta 94.26415 _cell_angle_gamma 119.32038 _symmetry_space_group_name_H-M 'P -1' _symmetry_Int_Tables_number 2 loop_ _atom_site_label _atom_site_type_symbol _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv GE1 Ge 1.0 0.04827 0.03153 0.16667 Biso 1.000 N1 N 1.0 1.40594 -0.28727 0.24599 Biso 1.000