data_Cr2SbIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.7
_cell_length_b   4.7
_cell_length_c   4.73
_cell_angle_alpha   100.21
_cell_angle_beta   100.21
_cell_angle_gamma   36.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2SbIr
_chemical_formula_sum   'Cr2 Sb1 Ir1'
_cell_volume   60.75
_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  0.06  0.0  0.09  1.0
  Cr  Cr1  1  0.46  0.0  0.17  1.0
  Sb  Sb3  1  0.58  0.0  0.55  1.0
  Ir  Ir2  1  0.98  0.0  0.16  1.0

data_Cr2SbIr
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.92
_cell_length_b   4.7
_cell_length_c   4.73
_cell_angle_alpha   100.21
_cell_angle_beta   90.0
_cell_angle_gamma   108.1
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2SbIr
_chemical_formula_sum   'Cr2 Sb1 Ir1'
_cell_volume   60.75
_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  0.54  0.83  1.0
  Cr  Cr1  1  0.0  0.94  0.91  1.0
  Sb  Sb2  1  0.0  0.42  0.45  1.0
  Ir  Ir3  1  0.0  0.02  0.84  1.0

Cr Cr Sb Ir
Cr Cr Sb Ir 0 3 - o o 0 1 o o o 1 2 o o o 