data_[Er8Ni12Sn8]
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
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [I2_13]
_cell_length_a [8.2722]
_cell_length_b [8.2722]
_cell_length_c [8.2722]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [199]
_chemical_formula_structural [Er2Ni3Sn2]
_chemical_formula_sum '[Er8 Ni12 Sn8]'
_cell_volume [566.0593]
_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  0.2467  0.2467  0.2467  1
  Ni  Ni1  12  0.0000  0.2500  0.0345  1
  Sn  Sn2  8  0.0419  0.4581  0.5419  1
]