data_[Ba10Sr2]
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 [16.5265]
_cell_length_b [4.4216]
_cell_length_c [10.5503]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.4976]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Ba5Sr]
_chemical_formula_sum '[Ba10 Sr2]'
_cell_volume [742.9295]
_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  2  0.0015  0.0000  0.9997  1.0
  Ba  Ba1  2  0.0570  0.0000  0.6143  1.0
  Ba  Ba2  2  0.1668  0.5000  0.3315  1.0
  Ba  Ba3  2  0.3321  0.0000  0.6678  1.0
  Ba  Ba4  2  0.3876  0.0000  0.2755  1.0
  Sr  Sr5  2  0.2217  0.5000  0.9445  1.0
]