data_[Zn4Ni10Ir2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  Ni  1.9100  1.3500  0.7400
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Pbam]
_cell_length_a [5.1710]
_cell_length_b [10.3129]
_cell_length_c [3.5780]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [55]
_chemical_formula_structural [Zn2Ni5Ir]
_chemical_formula_sum '[Zn4 Ni10 Ir2]'
_cell_volume [190.8081]
_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
[
  Zn  Zn0  4  0.2396  0.1300  0.5000  1.0
  Ni  Ni1  4  0.0005  0.7496  0.0000  1.0
  Ni  Ni2  4  0.2493  0.8751  0.5000  1.0
  Ni  Ni3  2  0.0000  0.0000  0.0000  1.0
  Ir  Ir4  2  0.0000  0.5000  0.0000  1.0
]