# generated using pymatgen data_BaPa(AsPt)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.31729005 _cell_length_b 4.31728867 _cell_length_c 17.35751832 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00001058 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaPa(AsPt)2 _chemical_formula_sum 'Ba2 Pa2 As4 Pt4' _cell_volume 280.18219513 _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 Ba Ba0 1 0.00000000 0.00000000 0.25000000 1.0 Ba Ba1 1 0.00000000 0.00000000 0.75000000 1.0 Pa Pa2 1 0.00000000 0.00000000 0.50000000 1.0 Pa Pa3 1 0.00000000 0.00000000 0.00000000 1.0 As As4 1 0.33333300 0.66666700 0.88097010 1.0 As As5 1 0.66666700 0.33333300 0.11902990 1.0 As As6 1 0.66666700 0.33333300 0.38097010 1.0 As As7 1 0.33333300 0.66666700 0.61902990 1.0 Pt Pt8 1 0.33333300 0.66666700 0.40519984 1.0 Pt Pt9 1 0.66666700 0.33333300 0.59480016 1.0 Pt Pt10 1 0.66666700 0.33333300 0.90519984 1.0 Pt Pt11 1 0.33333300 0.66666700 0.09480016 1.0