data_CrSb2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.18
_cell_length_b   6.18
_cell_length_c   6.18
_cell_angle_alpha   144.97
_cell_angle_beta   144.83
_cell_angle_gamma   50.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrSb2Ir
_chemical_formula_sum   'Cr1 Sb2 Ir1'
_cell_volume   77.7
_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  0.25  1.0
  Sb  Sb2  1  0.0  0.0  0.4  1.0
  Sb  Sb3  1  0.86  0.0  0.18  1.0
  Ir  Ir1  1  0.0  0.87  0.35  1.0

data_CrSb2Ir
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.72
_cell_length_b   3.73
_cell_length_c   6.18
_cell_angle_alpha   107.58
_cell_angle_beta   107.51
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrSb2Ir
_chemical_formula_sum   'Cr1 Sb2 Ir1'
_cell_volume   77.7
_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  0.25  0.25  1.0
  Sb  Sb1  1  0.0  0.18  0.32  1.0
  Sb  Sb2  1  0.0  0.4  0.4  1.0
  Ir  Ir3  1  0.13  0.48  0.48  1.0

Cr Sb Sb Ir