data_[Ga4H4Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ga  1.8100  1.3000  0.7600
  H  2.2000  0.2500  0.0000
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [12.6931]
_cell_length_b [3.8355]
_cell_length_c [5.1577]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.8869]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [GaHSe]
_chemical_formula_sum '[Ga4 H4 Se4]'
_cell_volume [250.9636]
_cell_formula_units_Z [4]
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
[
  Ga  Ga0  2  0.0352  0.5000  0.5490  1.0
  Ga  Ga1  2  0.2022  0.0000  0.0621  1.0
  H  H2  2  0.2963  0.0000  0.8761  1.0
  H  H3  2  0.4411  0.0000  0.3476  1.0
  Se  Se4  2  0.0238  0.0000  0.8525  1.0
  Se  Se5  2  0.2134  0.5000  0.3677  1.0
]