data_[Ba2La2I2O4]
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
  I  2.6600  1.4000  1.2733
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.7625]
_cell_length_b [4.4620]
_cell_length_c [8.6730]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.5515]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [BaLaIO2]
_chemical_formula_sum '[Ba2 La2 I2 O4]'
_cell_volume [287.9512]
_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  0.3294  0.7500  0.0763  1.0
  La  La1  2  0.3629  0.7500  0.5925  1.0
  I  I2  2  0.0437  0.2500  0.7385  1.0
  O  O3  2  0.4783  0.2500  0.6004  1.0
  O  O4  2  0.4996  0.2500  0.1464  1.0
]