data_[Cs2Hf2Ta2S10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Hf  1.3000  1.5500  0.8500
  Ta  1.5000  1.4500  0.8200
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.2660]
_cell_length_b [8.2711]
_cell_length_c [9.1961]
_cell_angle_alpha [65.5598]
_cell_angle_beta [76.2834]
_cell_angle_gamma [74.8332]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsHfTaS5]
_chemical_formula_sum '[Cs2 Hf2 Ta2 S10]'
_cell_volume [480.3623]
_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  2  0.3845  0.6766  0.6849  1
  Hf  Hf1  2  0.0117  0.2958  0.6632  1
  Ta  Ta2  2  0.2523  0.0327  0.0017  1
  S  S3  2  0.0566  0.7761  0.0237  1
  S  S4  2  0.0850  0.3853  0.3680  1
  S  S5  2  0.2194  0.8854  0.2945  1
  S  S6  2  0.3204  0.0975  0.7119  1
  S  S7  2  0.4434  0.2149  0.0022  1
]