data_[Er2Th10Tl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Th  1.3000  1.8000  1.0800
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.8201]
_cell_length_b [10.7892]
_cell_length_c [12.2312]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [ErTh5Tl4]
_chemical_formula_sum '[Er2 Th10 Tl8]'
_cell_volume [636.0907]
_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  2  0.0000  0.5000  0.5000  1
  Th  Th1  8  0.0000  0.1820  0.1638  1
  Th  Th2  2  0.0000  0.5000  0.0000  1
  Tl  Tl3  4  0.0000  0.2045  0.5000  1
  Tl  Tl4  4  0.0000  0.5000  0.2520  1
]