# generated using pymatgen data_CrFe2MoP2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.60500727 _cell_length_b 5.87930267 _cell_length_c 6.62880720 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrFe2MoP2 _chemical_formula_sum 'Cr2 Fe4 Mo2 P4' _cell_volume 140.49709710 _cell_formula_units_Z 2 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 0.25000000 0.97909059 0.32576047 1.0 Cr Cr1 1 0.25000000 0.47909059 0.17423953 1.0 Fe Fe2 1 0.25000000 0.85737548 0.94055439 1.0 Fe Fe3 1 0.25000000 0.35737548 0.55944561 1.0 Fe Fe4 1 0.75000000 0.14399163 0.06521765 1.0 Fe Fe5 1 0.75000000 0.64399163 0.43478235 1.0 Mo Mo6 1 0.75000000 0.02205886 0.67174213 1.0 Mo Mo7 1 0.75000000 0.52205886 0.82825787 1.0 P P8 1 0.25000000 0.22673285 0.88046372 1.0 P P9 1 0.25000000 0.72673285 0.61953628 1.0 P P10 1 0.75000000 0.77075059 0.12148080 1.0 P P11 1 0.75000000 0.27075059 0.37851920 1.0