# generated using pymatgen data_Sc2Ta(TcP)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.72164767 _cell_length_b 6.72164806 _cell_length_c 3.34192708 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 118.97245336 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc2Ta(TcP)3 _chemical_formula_sum 'Sc2 Ta1 Tc3 P3' _cell_volume 132.09409868 _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 Sc Sc0 1 0.59483643 0.99567925 0.50000000 1.0 Sc Sc1 1 0.99567925 0.59483643 0.50000000 1.0 Ta Ta2 1 0.40652941 0.40652941 0.50000000 1.0 Tc Tc3 1 0.00292931 0.25193523 0.00000000 1.0 Tc Tc4 1 0.25193523 0.00292931 0.00000000 1.0 Tc Tc5 1 0.74985132 0.74985132 0.00000000 1.0 P P6 1 0.66091419 0.33281357 0.00000000 1.0 P P7 1 0.33281357 0.66091419 0.00000000 1.0 P P8 1 0.00451230 0.00451230 0.50000000 1.0