data_[Er2Fe8Ge4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Fe  1.8300  1.4000  0.8525
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [Pnnm]
_cell_length_a [7.1135]
_cell_length_b [7.2957]
_cell_length_c [3.8616]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [58]
_chemical_formula_structural [Er(Fe2Ge)2]
_chemical_formula_sum '[Er2 Fe8 Ge4]'
_cell_volume [200.4079]
_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
[
  Er  Er0  2  0.0000  0.0000  0.0000  1.0
  Fe  Fe1  4  0.0871  0.6457  0.5000  1.0
  Fe  Fe2  4  0.1436  0.4051  0.0000  1.0
  Ge  Ge3  4  0.2203  0.2112  0.5000  1.0
]