data_Ba2LiW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.99
_cell_length_b   11.99
_cell_length_c   11.99
_cell_angle_alpha   16.74
_cell_angle_beta   16.74
_cell_angle_gamma   16.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2LiW
_chemical_formula_sum   'Ba2 Li1 W1'
_cell_volume   124.58
_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  0.0  0.52  1.0
  Ba  Ba1  1  0.0  0.0  0.93  1.0
  Li  Li2  1  0.0  0.0  0.0  1.0
  W  W3  1  0.0  0.0  0.73  1.0

data_Ba2LiW
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.04
_cell_length_b   3.49
_cell_length_c   11.99
_cell_angle_alpha   90.0
_cell_angle_beta   99.67
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ba2LiW
_chemical_formula_sum   'Ba4 Li2 W2'
_cell_volume   249.17
_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  2  -0.0  0.0  0.48  1.0
  Ba  Ba1  2  -0.0  0.0  0.07  1.0
  Li  Li2  2  0.0  0.0  0.0  1.0
  W  W3  2  -0.0  0.0  0.27  1.0

Ba Ba Li W
Ba Ba Li W 0 3 o o o 1 2 o o + 1 3 o o o 