data_[In2Te4H4]
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 [P-1]
_cell_length_a [4.8715]
_cell_length_b [5.6817]
_cell_length_c [9.1973]
_cell_angle_alpha [95.0231]
_cell_angle_beta [96.9174]
_cell_angle_gamma [106.7569]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [In(TeH)2]
_chemical_formula_sum '[In2 Te4 H4]'
_cell_volume [239.9723]
_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
[
  In  In0  2  0.1252  0.7814  0.5100  1
  Te  Te1  2  0.1499  0.7041  0.1907  1
  Te  Te2  2  0.3446  0.8088  0.8129  1
  H  H3  2  0.2517  0.1522  0.5036  1
  H  H4  2  0.3788  0.5225  0.2095  1
]