data_[Ba4Sr8]
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 [Cm]
_cell_length_a [16.0548]
_cell_length_b [4.3218]
_cell_length_c [10.3953]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.3239]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [BaSr2]
_chemical_formula_sum '[Ba4 Sr8]'
_cell_volume [695.6392]
_cell_formula_units_Z [4]
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  0.1666  0.5000  0.3338  1.0
  Ba  Ba1  2  0.4978  0.5000  0.9945  1.0
  Sr  Sr2  2  0.0552  0.0000  0.6144  1.0
  Sr  Sr3  2  0.2247  0.5000  0.9448  1.0
  Sr  Sr4  2  0.3320  0.0000  0.6647  1.0
  Sr  Sr5  2  0.3904  0.0000  0.2811  1.0
]