data_BSbIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.02
_cell_length_b   4.02
_cell_length_c   5.76
_cell_angle_alpha   98.39
_cell_angle_beta   98.39
_cell_angle_gamma   43.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BSbIr2
_chemical_formula_sum   'B1 Sb1 Ir2'
_cell_volume   62.96
_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
  B  B0  1  0.34  0.0  0.35  1.0
  Sb  Sb3  1  0.3  0.0  0.94  1.0
  Ir  Ir1  1  0.01  0.0  0.71  1.0
  Ir  Ir2  1  0.21  0.0  0.54  1.0

data_BSbIr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.96
_cell_length_b   4.02
_cell_length_c   5.76
_cell_angle_alpha   98.39
_cell_angle_beta   90.0
_cell_angle_gamma   111.6
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BSbIr2
_chemical_formula_sum   'B1 Sb1 Ir2'
_cell_volume   62.96
_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
  B  B0  1  0.0  0.66  0.65  1.0
  Sb  Sb1  1  0.0  0.7  0.06  1.0
  Ir  Ir2  1  0.0  0.79  0.46  1.0
  Ir  Ir3  1  0.0  0.99  0.29  1.0

B Sb Ir Ir
B Sb Ir Ir 0 3 o o o 1 2 o o o 2 3 o o o 