data_[Er8Ge4Ir8]
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 [C2/c]
_cell_length_a [9.8516]
_cell_length_b [5.4350]
_cell_length_c [7.6660]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.2248]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Er2GeIr2]
_chemical_formula_sum '[Er8 Ge4 Ir8]'
_cell_volume [399.5815]
_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  8  0.1476  0.1448  0.6500  1.0
  Ge  Ge1  4  0.0000  0.3519  0.2500  1.0
  Ir  Ir2  8  0.1339  0.3681  0.9988  1.0
]