data_[Ni10Ge4Ir2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ni  1.9100  1.3500  0.7400
  Ge  2.0100  1.2500  0.7700
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Pbam]
_cell_length_a [5.1752]
_cell_length_b [10.2960]
_cell_length_c [3.6016]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [55]
_chemical_formula_structural [Ni5Ge2Ir]
_chemical_formula_sum '[Ni10 Ge4 Ir2]'
_cell_volume [191.9093]
_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
[
  Ni  Ni0  4  0.0092  0.2473  0.0000  1.0
  Ni  Ni1  4  0.2395  0.8698  0.5000  1.0
  Ni  Ni2  2  0.0000  0.0000  0.0000  1.0
  Ge  Ge3  4  0.2462  0.1268  0.5000  1.0
  Ir  Ir4  2  0.0000  0.5000  0.0000  1.0
]