data_[Ba12Te8H4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Te  2.1000  1.4000  1.2933
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [15.0201]
_cell_length_b [6.9344]
_cell_length_c [9.6488]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.7358]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ba3Te2H]
_chemical_formula_sum '[Ba12 Te8 H4]'
_cell_volume [951.7229]
_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
[
  Ba  Ba0  8  0.1572  0.0015  0.5788  1
  Ba  Ba1  4  0.0000  0.4590  0.2500  1
  Te  Te2  8  0.1719  0.4985  0.0857  1
  H  H3  4  0.0000  0.0540  0.2500  1
]