data_[Sn2Te3H2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sn  1.9600  1.4500  0.8300
  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 [4.4100]
_cell_length_b [4.6688]
_cell_length_c [9.3492]
_cell_angle_alpha [79.6603]
_cell_angle_beta [85.5292]
_cell_angle_gamma [88.9549]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Sn2Te3H2]
_chemical_formula_sum '[Sn2 Te3 H2]'
_cell_volume [188.7887]
_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
[
  Sn  Sn0  2  0.2321  0.6820  0.3511  1
  Te  Te1  2  0.2624  0.8773  0.7095  1
  Te  Te2  1  0.0000  0.0000  0.0000  1
  H  H3  2  0.2269  0.7216  0.1380  1
]