data_[La2Ga2Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Ga  1.8100  1.3000  0.7600
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1]
_cell_length_a [4.1089]
_cell_length_b [6.9652]
_cell_length_c [7.3362]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.9995]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [4]
_chemical_formula_structural [LaGaSe2]
_chemical_formula_sum '[La2 Ga2 Se4]'
_cell_volume [201.8214]
_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
[
  La  La0  2  0.0942  0.5926  0.6874  1.0
  Ga  Ga1  2  0.1674  0.0391  0.7748  1.0
  Se  Se2  2  0.2701  0.2790  0.0416  1.0
  Se  Se3  2  0.4585  0.7782  0.4145  1.0
]