data_[Ba2La2Ga2Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  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 [6.9895]
_cell_length_b [7.0579]
_cell_length_c [8.9081]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.6675]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [BaLaGaSe4]
_chemical_formula_sum '[Ba2 La2 Ga2 Se8]'
_cell_volume [418.7236]
_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
[
  Ba  Ba0  2  0.2531  0.2500  0.0628  1
  La  La1  2  0.2324  0.2500  0.5568  1
  Ga  Ga2  2  0.2253  0.7500  0.3167  1
  Se  Se3  4  0.0099  0.5112  0.7319  1
  Se  Se4  2  0.4198  0.7500  0.1347  1
  Se  Se5  2  0.4291  0.7500  0.5882  1
]