data_[Ge2H4Se2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ge  2.0100  1.2500  0.7700
  H  2.2000  0.2500  0.0000
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [6.3656]
_cell_length_b [3.6722]
_cell_length_c [7.8562]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.2038]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [GeH2Se]
_chemical_formula_sum '[Ge2 H4 Se2]'
_cell_volume [182.5672]
_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
[
  Ge  Ge0  2  0.0609  0.5000  0.7507  1.0
  H  H1  2  0.3386  0.5000  0.1238  1.0
  H  H2  2  0.4197  0.5000  0.2011  1.0
  Se  Se3  2  0.2029  0.0000  0.5651  1.0
]