data_[Er4Fe12Ge8]
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 [C2/m]
_cell_length_a [14.7891]
_cell_length_b [3.8486]
_cell_length_c [7.2098]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.3018]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [ErFe3Ge2]
_chemical_formula_sum '[Er4 Fe12 Ge8]'
_cell_volume [367.8807]
_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  0.1456  0.0000  0.0582  1.0
  Fe  Fe1  4  0.0425  0.0000  0.3970  1.0
  Fe  Fe2  4  0.0814  0.5000  0.6403  1.0
  Fe  Fe3  4  0.1925  0.5000  0.4685  1.0
  Ge  Ge4  4  0.0238  0.5000  0.1893  1.0
  Ge  Ge5  4  0.1968  0.0000  0.7046  1.0
]