data_[Ga2H2Se2]
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 [Pm]
_cell_length_a [5.1610]
_cell_length_b [3.8328]
_cell_length_c [6.6975]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.9245]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [GaHSe]
_chemical_formula_sum '[Ga2 H2 Se2]'
_cell_volume [126.7464]
_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
[
  Ga  Ga0  1  0.2684  0.5000  0.9269  1.0
  Ga  Ga1  1  0.6455  0.0000  0.5981  1.0
  H  H2  1  0.5330  0.5000  0.1128  1.0
  H  H3  1  0.7694  0.0000  0.4123  1.0
  Se  Se4  1  0.3316  0.5000  0.5745  1.0
  Se  Se5  1  0.9732  0.0000  0.9515  1.0
]