data_CrSbIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.39
_cell_length_b   5.39
_cell_length_c   5.39
_cell_angle_alpha   148.41
_cell_angle_beta   129.37
_cell_angle_gamma   60.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrSbIr2
_chemical_formula_sum   'Cr1 Sb1 Ir2'
_cell_volume   62.7
_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  0.0  0.88  1.0
  Sb  Sb3  1  0.0  0.3  0.08  1.0
  Ir  Ir1  1  0.0  0.3  0.44  1.0
  Ir  Ir2  1  0.0  0.0  0.53  1.0

data_CrSbIr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.93
_cell_length_b   4.61
_cell_length_c   5.39
_cell_angle_alpha   115.31
_cell_angle_beta   105.8
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrSbIr2
_chemical_formula_sum   'Cr1 Sb1 Ir2'
_cell_volume   62.7
_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  0.88  0.88  1.0
  Sb  Sb1  1  0.7  0.78  0.78  1.0
  Ir  Ir2  1  0.0  0.53  0.53  1.0
  Ir  Ir3  1  0.7  0.13  0.13  1.0

Cr Sb Ir Ir