data_[Zr4Zn2Ir2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Zn  1.6500  1.3500  0.8800
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.6470]
_cell_length_b [4.3858]
_cell_length_c [6.7417]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.2445]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Zr2ZnIr]
_chemical_formula_sum '[Zr4 Zn2 Ir2]'
_cell_volume [152.2433]
_cell_formula_units_Z [2]
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
[
  Zr  Zr0  2  0.2235  0.7500  0.4177  1
  Zr  Zr1  2  0.3295  0.2500  0.0931  1
  Zn  Zn2  2  0.1138  0.7500  0.7976  1
  Ir  Ir3  2  0.3536  0.2500  0.7027  1
]