data_Ba2LiIn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.1
_cell_length_b   6.1
_cell_length_c   6.1
_cell_angle_alpha   120.69
_cell_angle_beta   120.69
_cell_angle_gamma   88.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2LiIn
_chemical_formula_sum   'Ba2 Li1 In1'
_cell_volume   158.68
_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  0.0  0.02  0.18  1.0
  Ba  Ba1  1  0.02  0.0  0.18  1.0
  Li  Li3  1  0.0  0.0  0.0  1.0
  In  In2  1  0.0  0.0  0.36  1.0

data_Ba2LiIn
_symmetry_space_group_name_H-M   Cm
_cell_length_a   8.53
_cell_length_b   8.53
_cell_length_c   6.1
_cell_angle_alpha   90.0
_cell_angle_beta   134.4
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ba2LiIn
_chemical_formula_sum   'Ba4 Li2 In2'
_cell_volume   317.35
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.49  0.49  0.16  1.0
  Li  Li1  2  0.0  0.0  0.0  1.0
  In  In2  2  0.0  0.0  0.36  1.0

Ba Ba Li In