data_Cr2B2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.25
_cell_length_b   5.25
_cell_length_c   13.48
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   148.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2B2Ir
_chemical_formula_sum   'Cr8 B8 Ir4'
_cell_volume   196.42
_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
  Cr  Cr8  1  0.44  0.98  0.37  1.0
  Cr  Cr9  1  0.44  0.02  0.11  1.0
  Cr  Cr10  1  0.44  0.33  0.37  1.0
  Cr  Cr11  1  0.44  0.67  0.11  1.0
  Cr  Cr12  1  0.44  0.28  0.79  1.0
  Cr  Cr13  1  0.44  0.72  0.53  1.0
  Cr  Cr14  1  0.44  0.28  0.95  1.0
  Cr  Cr15  1  0.44  0.72  0.69  1.0
  B  B0  1  0.44  0.64  0.45  1.0
  B  B1  1  0.44  0.36  0.19  1.0
  B  B2  1  0.44  0.64  0.29  1.0
  B  B3  1  0.44  0.36  0.03  1.0
  B  B4  1  0.44  1.0  0.76  1.0
  B  B5  1  0.44  0.0  0.5  1.0
  B  B6  1  0.44  1.0  0.98  1.0
  B  B7  1  0.44  0.0  0.72  1.0
  Ir  Ir16  1  0.44  0.57  0.2  1.0
  Ir  Ir17  1  0.44  0.43  0.94  1.0
  Ir  Ir18  1  0.44  0.57  0.54  1.0
  Ir  Ir19  1  0.44  0.43  0.28  1.0

data_Cr2B2Ir
_symmetry_space_group_name_H-M   P-1
_cell_length_a   2.89
_cell_length_b   5.25
_cell_length_c   13.48
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   105.99
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Cr2B2Ir
_chemical_formula_sum   'Cr8 B8 Ir4'
_cell_volume   196.42
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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
  Cr  Cr0  2  0.02  0.02  0.13  1.0
  Cr  Cr1  2  0.28  0.28  0.29  1.0
  Cr  Cr2  2  0.28  0.28  0.45  1.0
  Cr  Cr3  2  0.33  0.33  0.87  1.0
  B  B4  2  0.0  0.0  0.52  1.0
  B  B5  2  0.0  0.0  0.74  1.0
  B  B6  2  0.36  0.36  0.05  1.0
  B  B7  2  0.36  0.36  0.21  1.0
  Ir  Ir8  2  0.43  0.43  0.3  1.0
  Ir  Ir9  2  0.43  0.43  0.96  1.0

Cr Cr Cr Cr Cr Cr Cr Cr B B B B B B B B Ir Ir Ir Ir
Cr Cr Cr Cr Cr Cr Cr Cr B B B B B B B B Ir Ir Ir Ir 0 13 o + o 0 2 o + o 0 10 o o o 0 8 o o o 1 11 o o o 1 9 o o o 1 14 o - - 1 3 o - o 2 19 o o o 3 16 o o o 4 15 o o o 4 12 o - o 5 18 o o o 5 8 o o o 5 13 o + o 6 17 o o o 6 11 o o + 6 14 o - o 7 15 o + o 7 12 o o o 8 18 o o o 9 19 o o o 9 16 o o o 10 19 o o o 10 16 o o o 11 17 o o - 12 15 o + o 16 19 o o o 