data_ZnCr2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.63
_cell_length_b   3.88
_cell_length_c   5.05
_cell_angle_alpha   90.0
_cell_angle_beta   91.08
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnCr2Ir
_chemical_formula_sum   'Zn1 Cr2 Ir1'
_cell_volume   51.56
_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
  Zn  Zn3  1  0.0  0.0  0.0  1.0
  Cr  Cr0  1  0.27  0.94  0.22  1.0
  Cr  Cr1  1  0.27  0.94  0.83  1.0
  Ir  Ir2  1  0.95  0.0  0.53  1.0

data_ZnCr2Ir
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.63
_cell_length_b   3.88
_cell_length_c   5.05
_cell_angle_alpha   90.0
_cell_angle_beta   91.08
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnCr2Ir
_chemical_formula_sum   'Zn1 Cr2 Ir1'
_cell_volume   51.56
_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
  Zn  Zn0  1  0.0  0.0  0.0  1.0
  Cr  Cr1  1  0.27  0.94  0.83  1.0
  Cr  Cr2  1  0.27  0.94  0.22  1.0
  Ir  Ir3  1  0.95  0.0  0.53  1.0

Zn Cr Cr Ir