data_[Er12Ni8Ge12]
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 [Cmcm]
_cell_length_a [4.1875]
_cell_length_b [10.1986]
_cell_length_c [13.9637]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Er3Ni2Ge3]
_chemical_formula_sum '[Er12 Ni8 Ge12]'
_cell_volume [596.3394]
_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  0.0000  0.0878  0.6090  1.0
  Er  Er1  4  0.0000  0.3658  0.7500  1.0
  Ni  Ni2  8  0.0000  0.2014  0.1005  1.0
  Ge  Ge3  8  0.0000  0.3767  0.5382  1.0
  Ge  Ge4  4  0.0000  0.3364  0.2500  1.0
]