data_[Ba8Sr3Li2]
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
  Li  0.9800  1.4500  0.9000
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [8.5646]
_cell_length_b [6.6613]
_cell_length_c [12.7085]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.2150]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Ba8Sr3Li2]
_chemical_formula_sum '[Ba8 Sr3 Li2]'
_cell_volume [715.6753]
_cell_formula_units_Z [1]
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  0.0447  0.5000  0.6728  1
  Ba  Ba1  2  0.2142  0.0000  0.2424  1
  Ba  Ba2  2  0.2885  0.0000  0.5774  1
  Ba  Ba3  2  0.4765  0.5000  0.1695  1
  Sr  Sr4  2  0.2641  0.0000  0.9167  1
  Sr  Sr5  1  0.0000  0.5000  0.0000  1
  Li  Li6  2  0.3564  0.5000  0.4331  1
]