# generated using pymatgen data_Zr2Ta(MoP)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.87921870 _cell_length_b 6.87921931 _cell_length_c 3.39866182 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.78939367 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr2Ta(MoP)3 _chemical_formula_sum 'Zr2 Ta1 Mo3 P3' _cell_volume 139.58367025 _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 Zr Zr0 1 0.59527551 0.99899319 0.50000000 1.0 Zr Zr1 1 0.99899319 0.59527551 0.50000000 1.0 Ta Ta2 1 0.40198704 0.40198704 0.50000000 1.0 Mo Mo3 1 0.00732056 0.25522721 0.00000000 1.0 Mo Mo4 1 0.25522721 0.00732056 0.00000000 1.0 Mo Mo5 1 0.74397056 0.74397056 0.00000000 1.0 P P6 1 0.66217776 0.33472014 0.00000000 1.0 P P7 1 0.33472014 0.66217776 0.00000000 1.0 P P8 1 0.00032804 0.00032804 0.50000000 1.0