data_[Er6Fe4Ge8]
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 [10.4697]
_cell_length_b [4.2095]
_cell_length_c [7.9532]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.4372]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er3(FeGe2)2]
_chemical_formula_sum '[Er6 Fe4 Ge8]'
_cell_volume [332.5244]
_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  4  0.1227  0.5000  0.6929  1
  Er  Er1  2  0.0000  0.0000  0.0000  1
  Fe  Fe2  4  0.1840  0.5000  0.3642  1
  Ge  Ge3  4  0.0997  0.0000  0.4030  1
  Ge  Ge4  4  0.2117  0.5000  0.0829  1
]