# generated using pymatgen data_Ba5Sb3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.13492873 _cell_length_b 10.13491976 _cell_length_c 7.89536170 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99997012 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba5Sb3 _chemical_formula_sum 'Ba10 Sb6' _cell_volume 702.33418368 _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 0.25625462 0.75000000 1.0 Ba Ba1 1 0.00000000 0.74374538 0.25000000 1.0 Ba Ba2 1 0.25625462 0.25625462 0.25000000 1.0 Ba Ba3 1 0.25625462 -0.00000000 0.75000000 1.0 Ba Ba4 1 0.74374538 0.74374538 0.75000000 1.0 Ba Ba5 1 0.74374538 0.00000000 0.25000000 1.0 Ba Ba6 1 0.33333300 0.66666700 0.50000000 1.0 Ba Ba7 1 0.66666700 0.33333300 -0.00000000 1.0 Ba Ba8 1 0.66666700 0.33333300 0.50000000 1.0 Ba Ba9 1 0.33333300 0.66666700 -0.00000000 1.0 Sb Sb10 1 0.60986282 0.00000000 0.75000000 1.0 Sb Sb11 1 0.60986282 0.60986282 0.25000000 1.0 Sb Sb12 1 -0.00000000 0.39013718 0.25000000 1.0 Sb Sb13 1 0.00000000 0.60986282 0.75000000 1.0 Sb Sb14 1 0.39013718 0.39013718 0.75000000 1.0 Sb Sb15 1 0.39013718 -0.00000000 0.25000000 1.0