# generated using pymatgen data_Cd4As(PN2)6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.38626670 _cell_length_b 7.38626630 _cell_length_c 7.38626690 _cell_angle_alpha 109.47121959 _cell_angle_beta 109.47121849 _cell_angle_gamma 109.47122388 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cd4As(PN2)6 _chemical_formula_sum 'Cd4 As1 P6 N12' _cell_volume 310.20804158 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cd Cd0 1 0.65675639 1.00000000 0.00000000 1.0 Cd Cd1 1 0.00000000 0.00000000 0.65675639 1.0 Cd Cd2 1 1.00000000 0.65675639 1.00000000 1.0 Cd Cd3 1 0.34324361 0.34324361 0.34324361 1.0 As As4 1 0.00000000 0.00000000 0.00000000 1.0 P P5 1 0.25000000 0.75000000 0.50000000 1.0 P P6 1 0.75000000 0.25000000 0.50000000 1.0 P P7 1 0.75000000 0.50000000 0.25000000 1.0 P P8 1 0.25000000 0.50000000 0.75000000 1.0 P P9 1 0.50000000 0.75000000 0.25000000 1.0 P P10 1 0.50000000 0.25000000 0.75000000 1.0 N N11 1 0.70903569 0.28819083 0.28819083 1.0 N N12 1 0.28819083 0.70903569 0.28819083 1.0 N N13 1 0.29096431 0.57915514 0.57915514 1.0 N N14 1 0.57915514 0.57915514 0.29096431 1.0 N N15 1 0.42084486 0.71180917 1.00000000 1.0 N N16 1 1.00000000 0.71180917 0.42084486 1.0 N N17 1 0.57915514 0.29096431 0.57915514 1.0 N N18 1 0.71180917 0.00000000 0.42084486 1.0 N N19 1 0.42084486 0.00000000 0.71180917 1.0 N N20 1 0.71180917 0.42084486 1.00000000 1.0 N N21 1 0.28819083 0.28819083 0.70903569 1.0 N N22 1 0.00000000 0.42084486 0.71180917 1.0