data_[Cd1Te2H2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  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 [3.3965]
_cell_length_b [3.4499]
_cell_length_c [9.9777]
_cell_angle_alpha [89.6347]
_cell_angle_beta [87.3222]
_cell_angle_gamma [85.2939]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Cd(TeH)2]
_chemical_formula_sum '[Cd1 Te2 H2]'
_cell_volume [116.3950]
_cell_formula_units_Z [1]
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
[
  Cd  Cd0  1  0.0000  0.0000  0.0000  1
  Te  Te1  2  0.4745  0.0358  0.3662  1
  H  H2  2  0.2673  0.2799  0.1003  1
]