data_[Er12Tl2Au10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Tl  1.6200  1.9000  1.3325
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [5.0870]
_cell_length_b [7.2293]
_cell_length_c [15.2557]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Er6TlAu5]
_chemical_formula_sum '[Er12 Tl2 Au10]'
_cell_volume [561.0405]
_cell_formula_units_Z [2]
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  0.0000  0.2559  0.1711  1
  Er  Er1  4  0.0000  0.2374  0.5000  1
  Tl  Tl2  2  0.0000  0.0000  0.0000  1
  Au  Au3  4  0.0000  0.0000  0.3334  1
  Au  Au4  4  0.0000  0.5000  0.3399  1
  Au  Au5  2  0.0000  0.5000  0.0000  1
]