data_[Ta4Te12H2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Te  2.1000  1.4000  1.2933
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [20.7090]
_cell_length_b [3.6192]
_cell_length_c [18.9037]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ta2Te6H]
_chemical_formula_sum '[Ta4 Te12 H2]'
_cell_volume [1416.8381]
_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
[
  Ta  Ta0  4  0.1479  0.0000  0.0081  1
  Te  Te1  4  0.0626  0.5000  0.0773  1
  Te  Te2  4  0.1272  0.5000  0.8967  1
  Te  Te3  4  0.2319  0.5000  0.0799  1
  H  H4  2  0.0000  0.5000  0.0000  1
]