data_Cr2BIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.79
_cell_length_b   4.79
_cell_length_c   4.05
_cell_angle_alpha   114.91
_cell_angle_beta   114.91
_cell_angle_gamma   32.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2BIr
_chemical_formula_sum   'Cr2 B1 Ir1'
_cell_volume   44.81
_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
  Cr  Cr1  1  0.35  0.0  0.22  1.0
  Cr  Cr2  1  0.89  0.0  0.7  1.0
  B  B0  1  0.52  0.0  0.83  1.0
  Ir  Ir3  1  0.38  0.0  0.7  1.0

data_Cr2BIr
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.68
_cell_length_b   4.05
_cell_length_c   4.79
_cell_angle_alpha   114.91
_cell_angle_beta   106.2
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2BIr
_chemical_formula_sum   'Cr2 B1 Ir1'
_cell_volume   44.81
_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
  Cr  Cr0  1  0.0  0.22  0.35  1.0
  Cr  Cr1  1  0.0  0.7  0.89  1.0
  B  B2  1  0.0  0.83  0.52  1.0
  Ir  Ir3  1  0.0  0.7  0.38  1.0

Cr Cr B Ir