data_[Ba10La2In12]
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
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [6.0260]
_cell_length_b [8.2367]
_cell_length_c [18.1461]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Ba5LaIn6]
_chemical_formula_sum '[Ba10 La2 In12]'
_cell_volume [900.6637]
_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  4  0.0000  0.0000  0.3426  1
  Ba  Ba1  4  0.0000  0.5000  0.3137  1
  Ba  Ba2  2  0.0000  0.5000  0.0000  1
  La  La3  2  0.0000  0.0000  0.0000  1
  In  In4  8  0.0000  0.2159  0.1561  1
  In  In5  4  0.0000  0.2966  0.5000  1
]