data_[Er2Tl2S4O16]
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
  S  2.5800  1.0000  0.8800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.0800]
_cell_length_b [5.4855]
_cell_length_c [8.4901]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.1375]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [ErTl(SO4)2]
_chemical_formula_sum '[Er2 Tl2 S4 O16]'
_cell_volume [422.5780]
_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  0.0000  0.0000  1.0
  Tl  Tl1  2  0.0000  0.0000  0.5000  1.0
  S  S2  4  0.1446  0.5000  0.7845  1.0
  O  O3  8  0.0537  0.2792  0.8189  1.0
  O  O4  4  0.1865  0.5000  0.6205  1.0
  O  O5  4  0.2250  0.0000  0.1032  1.0
]