data_[Ba2La2Br10]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.3517]
_cell_length_b [4.6925]
_cell_length_c [13.8357]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.4114]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [BaLaBr5]
_chemical_formula_sum '[Ba2 La2 Br10]'
_cell_volume [542.0600]
_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  0.0621  0.2500  0.8450  1.0
  La  La1  2  0.4321  0.7500  0.6524  1.0
  Br  Br2  2  0.0780  0.7500  0.6617  1.0
  Br  Br3  2  0.1589  0.2500  0.0742  1.0
  Br  Br4  2  0.3242  0.2500  0.5175  1.0
  Br  Br5  2  0.3622  0.7500  0.8592  1.0
  Br  Br6  2  0.3631  0.7500  0.2865  1.0
]