data_[Ba3Sr12La1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Sr  0.9500  2.0000  1.3200
  La  1.1000  1.9500  1.1720
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [6.6409]
_cell_length_b [6.6409]
_cell_length_c [19.4727]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Ba3Sr12La]
_chemical_formula_sum '[Ba3 Sr12 La1]'
_cell_volume [858.7868]
_cell_formula_units_Z [1]
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  0.0000  0.0000  0.2398  1
  Ba  Ba1  1  0.0000  0.0000  0.5000  1
  Sr  Sr2  4  0.0000  0.5000  0.1138  1
  Sr  Sr3  4  0.0000  0.5000  0.3717  1
  Sr  Sr4  2  0.5000  0.5000  0.2430  1
  Sr  Sr5  1  0.5000  0.5000  0.0000  1
  Sr  Sr6  1  0.5000  0.5000  0.5000  1
  La  La7  1  0.0000  0.0000  0.0000  1
]