data_[Ba2Li2Sn6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Li  0.9800  1.4500  0.9000
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [4.7658]
_cell_length_b [5.2207]
_cell_length_c [11.8022]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [BaLiSn3]
_chemical_formula_sum '[Ba2 Li2 Sn6]'
_cell_volume [293.6451]
_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  0.5000  0.6877  1.0
  Li  Li1  2  0.0000  0.5000  0.3240  1.0
  Sn  Sn2  2  0.0000  0.0000  0.4331  1.0
  Sn  Sn3  2  0.0000  0.0000  0.9472  1.0
  Sn  Sn4  2  0.0000  0.5000  0.0893  1.0
]