data_[Ba8Sr4]
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 [Pnma]
_cell_length_a [8.9200]
_cell_length_b [6.3494]
_cell_length_c [13.1321]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Ba2Sr]
_chemical_formula_sum '[Ba8 Sr4]'
_cell_volume [743.7578]
_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  4  0.1217  0.2500  0.7514  1.0
  Ba  Ba1  4  0.1294  0.2500  0.4168  1.0
  Sr  Sr2  4  0.1252  0.2500  0.0825  1.0
]