data_[Ba2Sr10]
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 [C2/m]
_cell_length_a [13.6399]
_cell_length_b [6.0946]
_cell_length_c [8.6296]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.5232]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BaSr5]
_chemical_formula_sum '[Ba2 Sr10]'
_cell_volume [680.2163]
_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  0.0000  0.0000  0.0000  1.0
  Sr  Sr1  4  0.1662  0.5000  0.8308  1.0
  Sr  Sr2  4  0.1693  0.5000  0.3364  1.0
  Sr  Sr3  2  0.0000  0.0000  0.5000  1.0
]