data_[Ba2Sr13]
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
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.9411]
_cell_length_b [10.7362]
_cell_length_c [10.7876]
_cell_angle_alpha [66.1756]
_cell_angle_beta [81.8307]
_cell_angle_gamma [82.0407]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Ba2Sr13]
_chemical_formula_sum '[Ba2 Sr13]'
_cell_volume [829.4698]
_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  0.0675  0.3994  0.7342  1.0
  Sr  Sr1  2  0.1331  0.8032  0.4671  1.0
  Sr  Sr2  2  0.2004  0.2005  0.1984  1.0
  Sr  Sr3  2  0.2692  0.6011  0.9333  1.0
  Sr  Sr4  2  0.3337  0.9997  0.6672  1.0
  Sr  Sr5  2  0.4041  0.3986  0.3989  1.0
  Sr  Sr6  2  0.4628  0.8012  0.1335  1.0
  Sr  Sr7  1  0.0000  0.0000  0.0000  1.0
]