data_[Er8Ni12Ge20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Ni  1.9100  1.3500  0.7400
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [9.7541]
_cell_length_b [11.5415]
_cell_length_c [5.8720]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Er2Ni3Ge5]
_chemical_formula_sum '[Er8 Ni12 Ge20]'
_cell_volume [661.0525]
_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  0.2323  0.3631  0.0000  1.0
  Ni  Ni1  8  0.1085  0.3613  0.5000  1.0
  Ni  Ni2  4  0.0000  0.0000  0.2500  1.0
  Ge  Ge3  8  0.0000  0.2280  0.2500  1.0
  Ge  Ge4  8  0.1618  0.0972  0.0000  1.0
  Ge  Ge5  4  0.0000  0.5000  0.2500  1.0
]