data_[Er64In16Ni16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  In  1.7800  1.5500  0.9400
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [13.4401]
_cell_length_b [13.4401]
_cell_length_c [13.4401]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [216]
_chemical_formula_structural [Er4InNi]
_chemical_formula_sum '[Er64 In16 Ni16]'
_cell_volume [2427.7586]
_cell_formula_units_Z [16]
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  24  0.0000  0.0000  0.1876  1
  Er  Er1  24  0.0626  0.2500  0.7500  1
  Er  Er2  16  0.1519  0.1519  0.3481  1
  In  In3  16  0.0829  0.0829  0.5829  1
  Ni  Ni4  16  0.1426  0.1426  0.1426  1
]