#====================================================================== # CRYSTAL DATA #---------------------------------------------------------------------- _chemical_formula_structural 'Ge P' _cell_length_a 4.52686 _cell_length_b 6.49927 _cell_length_c 4.93967 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _symmetry_space_group_name_H-M 'C m c m' _symmetry_Int_Tables_number 63 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 0.50000 -0.17459 0.25000 Biso 1.000 P1 P 1.0 0.50000 -0.18709 0.75000 Biso 1.000