data_[Ba2La2Ga2S8]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.7239]
_cell_length_b [6.7472]
_cell_length_c [8.5933]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.6379]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [BaLaGaS4]
_chemical_formula_sum '[Ba2 La2 Ga2 S8]'
_cell_volume [371.5263]
_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  0.2626  0.2500  0.0660  1.0
  La  La1  2  0.2280  0.2500  0.5547  1.0
  Ga  Ga2  2  0.2279  0.7500  0.3165  1.0
  S  S3  4  0.0031  0.5073  0.7304  1.0
  S  S4  2  0.4232  0.7500  0.1420  1.0
  S  S5  2  0.4283  0.7500  0.5819  1.0
]