data_[Er10Tl8O2]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [I4]
_cell_length_a [9.3514]
_cell_length_b [9.3514]
_cell_length_c [5.8454]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [79]
_chemical_formula_structural [Er5Tl4O]
_chemical_formula_sum '[Er10 Tl8 O2]'
_cell_volume [511.1708]
_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  0.1233  0.7774  0.9986  1
  Er  Er1  2  0.0000  0.0000  0.4580  1
  Tl  Tl2  8  0.0494  0.6637  0.4998  1
  O  O3  2  0.0000  0.0000  0.0588  1
]