data_[Cs4Ta2S2Cl10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Ta  1.5000  1.4500  0.8200
  S  2.5800  1.0000  0.8800
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [7.4117]
_cell_length_b [7.4117]
_cell_length_c [11.0680]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [107]
_chemical_formula_structural [Cs2TaSCl5]
_chemical_formula_sum '[Cs4 Ta2 S2 Cl10]'
_cell_volume [608.0043]
_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  0.0000  0.5000  0.2513  1.0
  Ta  Ta1  2  0.0000  0.0000  0.9815  1.0
  S  S2  2  0.0000  0.0000  0.7808  1.0
  Cl  Cl3  8  0.2294  0.2294  0.0043  1.0
  Cl  Cl4  2  0.0000  0.0000  0.2177  1.0
]