data_[Er8Tl4Au2]
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 [P2_1/m]
_cell_length_a [6.8765]
_cell_length_b [6.7362]
_cell_length_c [9.0901]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.6459]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Er4Tl2Au]
_chemical_formula_sum '[Er8 Tl4 Au2]'
_cell_volume [396.5555]
_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  4  0.3096  0.5085  0.7669  1
  Er  Er1  2  0.1736  0.2500  0.1407  1
  Er  Er2  2  0.3985  0.7500  0.4387  1
  Tl  Tl3  2  0.0888  0.2500  0.4604  1
  Tl  Tl4  2  0.3116  0.7500  0.0605  1
  Au  Au5  2  0.0029  0.2500  0.7990  1
]