data_[Cs10Tl4S10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Tl  1.6200  1.9000  1.3325
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.1075]
_cell_length_b [4.7297]
_cell_length_c [12.2500]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.6780]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs5Tl2S5]
_chemical_formula_sum '[Cs10 Tl4 S10]'
_cell_volume [917.0993]
_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
[
  Cs  Cs0  4  0.1462  0.5000  0.0751  1.0
  Cs  Cs1  4  0.2252  0.0000  0.6305  1.0
  Cs  Cs2  2  0.0000  0.5000  0.5000  1.0
  Tl  Tl3  4  0.0280  0.0000  0.7904  1.0
  S  S4  4  0.1127  0.0000  0.3512  1.0
  S  S5  4  0.1191  0.5000  0.7814  1.0
  S  S6  2  0.0000  0.0000  0.0000  1.0
]