data_[Cs12Te2S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Te  2.1000  1.4000  1.2933
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.6382]
_cell_length_b [11.4368]
_cell_length_c [9.1922]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.6298]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs6TeS2]
_chemical_formula_sum '[Cs12 Te2 S4]'
_cell_volume [892.5369]
_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  8  0.2091  0.2955  0.2189  1
  Cs  Cs1  4  0.2180  0.0000  0.4164  1
  Te  Te2  2  0.0000  0.0000  0.0000  1
  S  S3  4  0.0000  0.2715  0.5000  1
]