data_BIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.2
_cell_length_b   3.2
_cell_length_c   9.86
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BIr
_chemical_formula_sum   'B4 Ir4'
_cell_volume   87.6
_cell_formula_units_Z   4
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  0.0  0.47  1.0
  B  B1  1  0.0  0.0  0.4  1.0
  B  B2  1  0.6  0.92  0.4  1.0
  B  B3  1  0.0  0.85  0.47  1.0
  Ir  Ir4  1  0.6  0.92  0.13  1.0
  Ir  Ir5  1  0.0  0.85  0.06  1.0
  Ir  Ir6  1  0.0  0.85  0.73  1.0
  Ir  Ir7  1  0.6  0.92  0.8  1.0

data_BIr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.2
_cell_length_b   3.2
_cell_length_c   9.86
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BIr
_chemical_formula_sum   'B4 Ir4'
_cell_volume   87.6
_cell_formula_units_Z   4
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  0.0  0.4  1.0
  B  B1  1  0.0  0.0  0.47  1.0
  B  B2  1  0.0  0.85  0.47  1.0
  B  B3  1  0.6  0.92  0.4  1.0
  Ir  Ir4  1  0.0  0.85  0.06  1.0
  Ir  Ir5  1  0.0  0.85  0.73  1.0
  Ir  Ir6  1  0.6  0.92  0.13  1.0
  Ir  Ir7  1  0.6  0.92  0.8  1.0

B B B B Ir Ir Ir Ir