data_[Ba1Sr2Li1]
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 [4.2244]
_cell_length_b [6.1227]
_cell_length_c [8.0732]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.0998]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [BaSr2Li]
_chemical_formula_sum '[Ba1 Sr2 Li1]'
_cell_volume [201.6017]
_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  1  0.5000  0.5000  0.0000  1.0
  Sr  Sr1  2  0.0991  0.0000  0.2703  1.0
  Li  Li2  1  0.5000  0.5000  0.5000  1.0
]