data_[Ba6Sr26]
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 [Amm2]
_cell_length_a [9.5901]
_cell_length_b [13.5436]
_cell_length_c [13.5547]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Ba3Sr13]
_chemical_formula_sum '[Ba6 Sr26]'
_cell_volume [1760.5511]
_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  0.2513  0.0000  0.9989  1.0
  Ba  Ba1  2  0.0000  0.0000  0.2526  1.0
  Sr  Sr2  8  0.2517  0.2484  0.7500  1.0
  Sr  Sr3  4  0.0000  0.2463  0.5001  1.0
  Sr  Sr4  4  0.2514  0.0000  0.5014  1.0
  Sr  Sr5  4  0.5000  0.2464  0.5000  1.0
  Sr  Sr6  2  0.0000  0.0000  0.7464  1.0
  Sr  Sr7  2  0.5000  0.0000  0.2539  1.0
  Sr  Sr8  2  0.5000  0.0000  0.7464  1.0
]