data_[Ga2W2Se2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ga  1.8100  1.3000  0.7600
  W  2.3600  1.3500  0.7667
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [2.8250]
_cell_length_b [3.6719]
_cell_length_c [13.0863]
_cell_angle_alpha [89.2368]
_cell_angle_beta [89.1281]
_cell_angle_gamma [81.5853]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [GaWSe]
_chemical_formula_sum '[Ga2 W2 Se2]'
_cell_volume [134.2611]
_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  2  0.2645  0.2602  0.2672  1
  W  W1  2  0.2466  0.7477  0.5555  1
  Se  Se2  2  0.2726  0.7652  0.1399  1
]