data_[Er96Hf40Sn24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Hf  1.3000  1.5500  0.8500
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Ia-3d]
_cell_length_a [17.6053]
_cell_length_b [17.6053]
_cell_length_c [17.6053]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [230]
_chemical_formula_structural [Er12Hf5Sn3]
_chemical_formula_sum '[Er96 Hf40 Sn24]'
_cell_volume [5456.7304]
_cell_formula_units_Z [8]
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  96  0.0129  0.0755  0.6497  1
  Hf  Hf1  24  0.0000  0.2500  0.3750  1
  Hf  Hf2  16  0.0000  0.0000  0.0000  1
  Sn  Sn3  24  0.0000  0.2500  0.1250  1
]