# generated using pymatgen data_Ti3Mn4MoP4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.46516383 _cell_length_b 6.13097276 _cell_length_c 7.23898963 _cell_angle_alpha 90.34161317 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti3Mn4MoP4 _chemical_formula_sum 'Ti3 Mn4 Mo1 P4' _cell_volume 153.78833493 _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 Ti Ti0 1 0.25000000 0.46274816 0.17286762 1.0 Ti Ti1 1 0.75000000 0.03664654 0.67038629 1.0 Ti Ti2 1 0.75000000 0.53626654 0.82759925 1.0 Mn Mn3 1 0.25000000 0.86208197 0.94030043 1.0 Mn Mn4 1 0.25000000 0.36083342 0.55860159 1.0 Mn Mn5 1 0.75000000 0.13943340 0.05825493 1.0 Mn Mn6 1 0.75000000 0.63621668 0.44117026 1.0 Mo Mo7 1 0.25000000 0.96336244 0.33427941 1.0 P P8 1 0.25000000 0.24124879 0.86584927 1.0 P P9 1 0.25000000 0.73924478 0.63311660 1.0 P P10 1 0.75000000 0.76151516 0.13274689 1.0 P P11 1 0.75000000 0.26040412 0.36482745 1.0