data_[Cs12Te20H8]
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
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [8.9070]
_cell_length_b [22.1451]
_cell_length_c [8.2699]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Cs3Te5H2]
_chemical_formula_sum '[Cs12 Te20 H8]'
_cell_volume [1631.2045]
_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  8  0.1503  0.3033  0.5000  1
  Cs  Cs1  4  0.0000  0.0000  0.2500  1
  Te  Te2  8  0.0000  0.1681  0.2500  1
  Te  Te3  8  0.1687  0.4256  0.0000  1
  Te  Te4  4  0.0000  0.5000  0.2500  1
  H  H5  8  0.0027  0.1699  0.0000  1
]