# generated using pymatgen data_Ti3Re2MoP3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.64061166 _cell_length_b 6.64061136 _cell_length_c 3.28106442 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.75435424 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti3Re2MoP3 _chemical_formula_sum 'Ti3 Re2 Mo1 P3' _cell_volume 125.61202838 _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 0.40633528 0.40633528 0.50000000 1.0 Ti Ti1 1 0.59618444 0.99478603 0.50000000 1.0 Ti Ti2 1 0.99478603 0.59618444 0.50000000 1.0 Re Re3 1 0.25877741 0.00161765 0.00000000 1.0 Re Re4 1 0.00161765 0.25877741 0.00000000 1.0 Mo Mo5 1 0.74447472 0.74447472 0.00000000 1.0 P P6 1 0.66637945 0.33075013 0.00000000 1.0 P P7 1 0.33075013 0.66637945 0.00000000 1.0 P P8 1 0.00069488 0.00069488 0.50000000 1.0