# generated using pymatgen data_ZrSc2(TcP)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.78983042 _cell_length_b 6.78983102 _cell_length_c 3.40132184 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.67181750 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrSc2(TcP)3 _chemical_formula_sum 'Zr1 Sc2 Tc3 P3' _cell_volume 136.24575490 _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 0.40388284 0.40388284 0.50000000 1.0 Sc Sc1 1 0.59628845 0.99843508 0.50000000 1.0 Sc Sc2 1 0.99843508 0.59628845 0.50000000 1.0 Tc Tc3 1 0.00122013 0.24957235 0.00000000 1.0 Tc Tc4 1 0.24957235 0.00122013 0.00000000 1.0 Tc Tc5 1 0.75057197 0.75057197 0.00000000 1.0 P P6 1 0.66905440 0.33200194 0.00000000 1.0 P P7 1 0.33200194 0.66905440 0.00000000 1.0 P P8 1 0.99897284 0.99897284 0.50000000 1.0