data_ZnCrIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.58
_cell_length_b   4.58
_cell_length_c   4.73
_cell_angle_alpha   99.64
_cell_angle_beta   99.64
_cell_angle_gamma   34.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnCrIr2
_chemical_formula_sum   'Zn1 Cr1 Ir2'
_cell_volume   55.11
_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  0.96  0.0  0.33  1.0
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  Ir  Ir1  1  0.61  0.0  0.52  1.0
  Ir  Ir2  1  0.31  0.0  0.13  1.0

data_ZnCrIr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.71
_cell_length_b   4.58
_cell_length_c   4.73
_cell_angle_alpha   99.64
_cell_angle_beta   90.0
_cell_angle_gamma   107.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnCrIr2
_chemical_formula_sum   'Zn1 Cr1 Ir2'
_cell_volume   55.11
_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  0.04  0.67  1.0
  Cr  Cr1  1  0.0  0.0  0.0  1.0
  Ir  Ir2  1  0.0  0.39  0.48  1.0
  Ir  Ir3  1  0.0  0.69  0.87  1.0

Zn Cr Ir Ir