data_Li2BW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.79
_cell_length_b   2.79
_cell_length_c   7.4
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   105.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2BW
_chemical_formula_sum   'Li2 B1 W1'
_cell_volume   55.45
_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
  Li  Li1  1  0.68  0.0  0.43  1.0
  Li  Li2  1  0.0  0.0  0.5  1.0
  B  B0  1  0.0  0.0  0.92  1.0
  W  W3  1  0.68  0.0  0.25  1.0

data_Li2BW
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.79
_cell_length_b   2.79
_cell_length_c   7.4
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   105.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2BW
_chemical_formula_sum   'Li2 B1 W1'
_cell_volume   55.45
_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
  Li  Li0  1  0.0  0.0  0.5  1.0
  Li  Li1  1  0.68  0.0  0.43  1.0
  B  B2  1  0.0  0.0  0.92  1.0
  W  W3  1  0.68  0.0  0.25  1.0

Li Li B W
Li Li B W 0 1 + o o 0 3 o o o 1 2 o o o 2 2 o + o 2 2 + o o 2 3 - o + 2 3 o o + 