data_[Zn1Cr2Ir1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  Cr  1.6600  1.4000  0.9400
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [2.6488]
_cell_length_b [4.1987]
_cell_length_c [4.6539]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [ZnCr2Ir]
_chemical_formula_sum '[Zn1 Cr2 Ir1]'
_cell_volume [51.7591]
_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  0.5000  0.5000  0.2084  1
  Cr  Cr1  1  0.0000  0.0000  0.0296  1
  Cr  Cr2  1  0.0000  0.5000  0.7245  1
  Ir  Ir3  1  0.5000  0.0000  0.5374  1
]