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 [Pnma]
_cell_length_a [8.6813]
_cell_length_b [6.2285]
_cell_length_c [13.0495]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [BaSr2]
_chemical_formula_sum '[Ba4 Sr8]'
_cell_volume [705.6011]
_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  0.1290  0.2500  0.0842  1.0
  Sr  Sr1  4  0.1198  0.2500  0.7472  1.0
  Sr  Sr2  4  0.1257  0.2500  0.4175  1.0
]