data_[In4Te4H4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  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 [7.6046]
_cell_length_b [4.3987]
_cell_length_c [11.2753]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.6757]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [InTeH]
_chemical_formula_sum '[In4 Te4 H4]'
_cell_volume [376.9978]
_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
[
  In  In0  4  0.0053  0.0000  0.1254  1.0
  Te  Te1  4  0.1772  0.5000  0.2483  1.0
  H  H2  4  0.0465  0.0000  0.5141  1.0
]