data_[Cs8Tc4S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Tc  1.9000  1.3500  0.7417
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.0781]
_cell_length_b [7.1782]
_cell_length_c [10.2083]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.8358]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs2TcS3]
_chemical_formula_sum '[Cs8 Tc4 S12]'
_cell_volume [836.3181]
_cell_formula_units_Z [4]
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  0.0829  0.0000  0.8627  1
  Cs  Cs1  4  0.1991  0.5000  0.3103  1
  Tc  Tc2  4  0.1034  0.5000  0.6581  1
  S  S3  4  0.0000  0.2516  0.5000  1
  S  S4  4  0.1100  0.5000  0.8815  1
  S  S5  4  0.2159  0.0000  0.2799  1
]