data_[Ga2Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ga  1.8100  1.3000  0.7600
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [3.8021]
_cell_length_b [6.3927]
_cell_length_c [7.5389]
_cell_angle_alpha [74.1405]
_cell_angle_beta [86.4990]
_cell_angle_gamma [73.0722]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [GaSe2]
_chemical_formula_sum '[Ga2 Se4]'
_cell_volume [168.5907]
_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  0.2556  0.2255  0.6541  1.0
  Ga  Ga1  1  0.6872  0.2320  0.0086  1.0
  Se  Se2  1  0.3130  0.9791  0.9854  1.0
  Se  Se3  1  0.5553  0.5036  0.7022  1.0
  Se  Se4  1  0.6114  0.4011  0.2613  1.0
  Se  Se5  1  0.9192  0.0558  0.4852  1.0
]