data_Bi2SbIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.25
_cell_length_b   7.25
_cell_length_c   7.25
_cell_angle_alpha   151.43
_cell_angle_beta   144.13
_cell_angle_gamma   46.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Bi2SbIr
_chemical_formula_sum   'Bi2 Sb1 Ir1'
_cell_volume   106.56
_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
  Bi  Bi0  1  0.0  0.23  0.31  1.0
  Bi  Bi1  1  0.79  0.0  0.35  1.0
  Sb  Sb3  1  0.0  0.0  0.0  1.0
  Ir  Ir2  1  0.0  0.0  0.66  1.0

data_Bi2SbIr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.58
_cell_length_b   4.47
_cell_length_c   7.25
_cell_angle_alpha   107.94
_cell_angle_beta   104.29
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Bi2SbIr
_chemical_formula_sum   'Bi2 Sb1 Ir1'
_cell_volume   106.56
_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
  Bi  Bi0  1  0.0  0.35  0.56  1.0
  Bi  Bi1  1  0.77  0.08  0.08  1.0
  Sb  Sb2  1  0.0  0.0  0.0  1.0
  Ir  Ir3  1  0.0  0.66  0.66  1.0

Bi Bi Sb Ir
Bi Bi Sb Ir 0 2 o o o 1 3 + o o 