data_[Sn2H2Se2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sn  1.9600  1.4500  0.8300
  H  2.2000  0.2500  0.0000
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.2180]
_cell_length_b [6.1456]
_cell_length_c [6.1575]
_cell_angle_alpha [96.4746]
_cell_angle_beta [107.4715]
_cell_angle_gamma [109.0789]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [SnHSe]
_chemical_formula_sum '[Sn2 H2 Se2]'
_cell_volume [139.8956]
_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
[
  Sn  Sn0  1  0.1572  0.1968  0.4861  1
  Sn  Sn1  1  0.9483  0.5656  0.9583  1
  H  H2  1  0.4399  0.4324  0.8545  1
  H  H3  1  0.4869  0.9821  0.9495  1
  Se  Se4  1  0.8017  0.5078  0.4758  1
  Se  Se5  1  0.8654  0.0794  0.9565  1
]