data_BaSb2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.72
_cell_length_b   4.74
_cell_length_c   5.76
_cell_angle_alpha   90.0
_cell_angle_beta   90.75
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaSb2Ir
_chemical_formula_sum   'Ba1 Sb2 Ir1'
_cell_volume   128.79
_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
  Ba  Ba0  1  0.79  0.0  0.16  1.0
  Sb  Sb2  1  0.49  0.0  0.28  1.0
  Sb  Sb3  1  0.05  0.37  0.29  1.0
  Ir  Ir1  1  0.65  0.37  0.9  1.0

data_BaSb2Ir
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.72
_cell_length_b   4.74
_cell_length_c   5.76
_cell_angle_alpha   90.0
_cell_angle_beta   90.75
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaSb2Ir
_chemical_formula_sum   'Ba1 Sb2 Ir1'
_cell_volume   128.79
_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
  Ba  Ba0  1  0.79  0.0  0.16  1.0
  Sb  Sb1  1  0.05  0.37  0.29  1.0
  Sb  Sb2  1  0.49  0.0  0.28  1.0
  Ir  Ir3  1  0.65  0.37  0.9  1.0

Ba Sb Sb Ir