data_[Ti8Te10H4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  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 [17.5845]
_cell_length_b [3.5460]
_cell_length_c [8.0832]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.2628]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ti4Te5H2]
_chemical_formula_sum '[Ti8 Te10 H4]'
_cell_volume [490.5858]
_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
[
  Ti  Ti0  4  0.0008  0.0000  0.7393  1
  Ti  Ti1  4  0.0993  0.5000  0.5496  1
  Te  Te2  4  0.1584  0.0000  0.3487  1
  Te  Te3  4  0.1601  0.0000  0.8088  1
  Te  Te4  2  0.0000  0.5000  0.0000  1
  H  H5  4  0.0002  0.5000  0.6293  1
]