data_[Ba4Li4In4Sb8]
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
  In  1.7800  1.5500  0.9400
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.8990]
_cell_length_b [4.7930]
_cell_length_c [10.2499]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.8686]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BaLiInSb2]
_chemical_formula_sum '[Ba4 Li4 In4 Sb8]'
_cell_volume [674.6599]
_cell_formula_units_Z [4]
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  4  0.1540  0.5000  0.6911  1.0
  Li  Li1  4  0.1636  0.5000  0.0711  1.0
  In  In2  4  0.0639  0.0000  0.1899  1.0
  Sb  Sb3  4  0.1337  0.5000  0.3429  1.0
  Sb  Sb4  4  0.1354  0.0000  0.9308  1.0
]