# generated using pymatgen data_Cr2MoP3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.12992700 _cell_length_b 5.46004534 _cell_length_c 18.26000951 _cell_angle_alpha 89.91963878 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cr2MoP3 _chemical_formula_sum 'Cr8 Mo4 P12' _cell_volume 312.05491662 _cell_formula_units_Z 4 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 Cr Cr0 1 0.75000000 0.99473500 0.60276200 1.0 Cr Cr1 1 0.75000000 0.99423400 0.93449300 1.0 Cr Cr2 1 0.25000000 0.51070100 0.10139400 1.0 Cr Cr3 1 0.25000000 0.50860600 0.43951100 1.0 Cr Cr4 1 0.25000000 0.50852800 0.76995000 1.0 Cr Cr5 1 0.25000000 0.01182500 0.06104600 1.0 Cr Cr6 1 0.25000000 0.00948800 0.39862200 1.0 Cr Cr7 1 0.25000000 0.01070800 0.73026100 1.0 Mo Mo8 1 0.75000000 0.49316200 0.23054300 1.0 Mo Mo9 1 0.75000000 0.48987200 0.56477000 1.0 Mo Mo10 1 0.75000000 0.49017700 0.89609300 1.0 Mo Mo11 1 0.75000000 0.99328500 0.26932200 1.0 P P12 1 0.75000000 0.31040200 0.02324000 1.0 P P13 1 0.75000000 0.31695300 0.36137300 1.0 P P14 1 0.75000000 0.30971300 0.69162400 1.0 P P15 1 0.75000000 0.81581500 0.13829500 1.0 P P16 1 0.75000000 0.82107200 0.47690600 1.0 P P17 1 0.75000000 0.81908800 0.80825400 1.0 P P18 1 0.25000000 0.67815500 0.31914100 1.0 P P19 1 0.25000000 0.69625000 0.64879200 1.0 P P20 1 0.25000000 0.69595500 0.98037600 1.0 P P21 1 0.25000000 0.17905100 0.18068100 1.0 P P22 1 0.25000000 0.17092500 0.52035100 1.0 P P23 1 0.25000000 0.17129800 0.85220300 1.0