data_[Er8Re4Ge8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Re  1.9000  1.3500  0.7125
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.9695]
_cell_length_b [4.2097]
_cell_length_c [10.0914]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.0458]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er2ReGe2]
_chemical_formula_sum '[Er8 Re4 Ge8]'
_cell_volume [411.2828]
_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  0.0068  0.0000  0.1769  1
  Er  Er1  4  0.1852  0.0000  0.6138  1
  Re  Re2  4  0.2270  0.5000  0.8682  1
  Ge  Ge3  4  0.0083  0.5000  0.3755  1
  Ge  Ge4  4  0.1374  0.5000  0.0610  1
]