data_[Sr8Tl2S10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Tl  1.6200  1.9000  1.3325
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [I4/m]
_cell_length_a [9.6121]
_cell_length_b [9.6121]
_cell_length_c [5.9726]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [87]
_chemical_formula_structural [Sr4TlS5]
_chemical_formula_sum '[Sr8 Tl2 S10]'
_cell_volume [551.8214]
_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
[
  Sr  Sr0  8  0.1033  0.3007  0.5000  1.0
  Tl  Tl1  2  0.0000  0.0000  0.0000  1.0
  S  S2  8  0.1017  0.3040  0.0000  1.0
  S  S3  2  0.0000  0.0000  0.5000  1.0
]