# generated using pymatgen data_Sc2(PaOs)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.14998855 _cell_length_b 7.97559370 _cell_length_c 7.97559471 _cell_angle_alpha 120.00000421 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc2(PaOs)3 _chemical_formula_sum 'Sc4 Pa6 Os6' _cell_volume 338.79033974 _cell_formula_units_Z 2 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 0.00000000 0.66666700 0.33333300 1.0 Sc Sc1 1 0.00000000 0.33333300 0.66666700 1.0 Sc Sc2 1 0.50000000 0.33333300 0.66666700 1.0 Sc Sc3 1 0.50000000 0.66666700 0.33333300 1.0 Pa Pa4 1 0.75000000 0.74304510 0.74304510 1.0 Pa Pa5 1 0.25000000 0.25695490 0.25695490 1.0 Pa Pa6 1 0.75000000 0.00000000 0.25695490 1.0 Pa Pa7 1 0.25000000 0.00000000 0.74304510 1.0 Pa Pa8 1 0.75000000 0.25695490 0.00000000 1.0 Pa Pa9 1 0.25000000 0.74304510 1.00000000 1.0 Os Os10 1 0.75000000 0.37417456 0.37417456 1.0 Os Os11 1 0.25000000 0.62582544 0.62582544 1.0 Os Os12 1 0.75000000 0.00000000 0.62582544 1.0 Os Os13 1 0.25000000 0.00000000 0.37417456 1.0 Os Os14 1 0.75000000 0.62582544 0.00000000 1.0 Os Os15 1 0.25000000 0.37417456 1.00000000 1.0