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/m]
_cell_length_a [5.9396]
_cell_length_b [4.3739]
_cell_length_c [8.2621]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.1918]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [LaGaSe2]
_chemical_formula_sum '[La2 Ga2 Se4]'
_cell_volume [201.4493]
_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  0.1501  0.7500  0.7970  1.0
  Ga  Ga1  2  0.2817  0.7500  0.3170  1.0
  Se  Se2  2  0.2670  0.2500  0.5710  1.0
  Se  Se3  2  0.2894  0.2500  0.0756  1.0
]