data_InB2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.77
_cell_length_b   5.77
_cell_length_c   5.77
_cell_angle_alpha   147.59
_cell_angle_beta   147.59
_cell_angle_gamma   46.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InB2Ir
_chemical_formula_sum   'In1 B2 Ir1'
_cell_volume   55.08
_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
  In  In2  1  0.0  0.0  0.3  1.0
  B  B0  1  0.0  0.0  0.0  1.0
  B  B1  1  0.61  0.0  0.65  1.0
  Ir  Ir3  1  0.0  0.61  0.65  1.0

data_InB2Ir
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.22
_cell_length_b   3.22
_cell_length_c   5.77
_cell_angle_alpha   106.2
_cell_angle_beta   106.2
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InB2Ir
_chemical_formula_sum   'In1 B2 Ir1'
_cell_volume   55.08
_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
  In  In0  1  0.3  0.3  0.3  1.0
  B  B1  1  0.0  0.0  0.0  1.0
  B  B2  1  0.65  0.04  0.04  1.0
  Ir  Ir3  1  0.04  0.65  0.04  1.0

In B B Ir
In B B Ir 0 3 o o o 0 3 o - - 0 2 - o - 0 2 o o o 0 1 o o o 1 2 - o - 1 3 o - - 