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 [Cm]
_cell_length_a [15.8778]
_cell_length_b [4.3002]
_cell_length_c [10.3030]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.2235]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [BaSr5]
_chemical_formula_sum '[Ba2 Sr10]'
_cell_volume [678.7795]
_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  0.0012  0.0000  0.0028  1.0
  Sr  Sr1  2  0.1111  0.5000  0.7180  1.0
  Sr  Sr2  2  0.1690  0.5000  0.3383  1.0
  Sr  Sr3  2  0.2751  0.0000  0.0542  1.0
  Sr  Sr4  2  0.3335  0.0000  0.6655  1.0
  Sr  Sr5  2  0.4434  0.5000  0.3879  1.0
]