data_[Er12Ge8Ir4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Ge  2.0100  1.2500  0.7700
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [11.6354]
_cell_length_b [4.2042]
_cell_length_c [11.1279]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Er3Ge2Ir]
_chemical_formula_sum '[Er12 Ge8 Ir4]'
_cell_volume [544.3511]
_cell_formula_units_Z [4]
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
[
  Er  Er0  4  0.0538  0.2500  0.3715  1
  Er  Er1  4  0.1212  0.7500  0.9462  1
  Er  Er2  4  0.2263  0.2500  0.7021  1
  Ge  Ge3  4  0.0059  0.7500  0.1899  1
  Ge  Ge4  4  0.1873  0.7500  0.4963  1
  Ir  Ir5  4  0.1296  0.2500  0.1282  1
]