data_[Er3Ni12Ge6]
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 [R-3m]
_cell_length_a [4.0264]
_cell_length_b [4.0264]
_cell_length_c [21.7086]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Er(Ni2Ge)2]
_chemical_formula_sum '[Er3 Ni12 Ge6]'
_cell_volume [304.7809]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.0000  1.0
  Ni  Ni1  6  0.0000  0.0000  0.1411  1.0
  Ni  Ni2  6  0.0000  0.0000  0.4382  1.0
  Ge  Ge3  6  0.0000  0.0000  0.2499  1.0
]