data_[Er12Sn8Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Sn  1.9600  1.4500  0.8300
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [12.1058]
_cell_length_b [4.5167]
_cell_length_c [11.5746]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Er3Sn2Au]
_chemical_formula_sum '[Er12 Sn8 Au4]'
_cell_volume [632.8835]
_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  4  0.0488  0.2500  0.3760  1
  Er  Er1  4  0.1290  0.7500  0.9383  1
  Er  Er2  4  0.2237  0.2500  0.6971  1
  Sn  Sn3  4  0.0017  0.7500  0.1903  1
  Sn  Sn4  4  0.1849  0.7500  0.4864  1
  Au  Au5  4  0.1321  0.2500  0.1365  1
]