data_BaB2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.14
_cell_length_b   6.49
_cell_length_c   6.49
_cell_angle_alpha   30.58
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaB2W
_chemical_formula_sum   'Ba1 B2 W1'
_cell_volume   67.13
_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  Ba2  1  0.0  0.0  0.74  1.0
  B  B0  1  0.57  0.0  0.53  1.0
  B  B1  1  0.0  0.0  0.4  1.0
  W  W3  1  0.57  0.0  0.09  1.0

data_BaB2W
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.14
_cell_length_b   3.42
_cell_length_c   6.49
_cell_angle_alpha   105.29
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaB2W
_chemical_formula_sum   'Ba1 B2 W1'
_cell_volume   67.13
_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  0.74  0.74  1.0
  B  B1  1  0.0  0.4  0.4  1.0
  B  B2  1  0.43  0.53  0.53  1.0
  W  W3  1  0.43  0.09  0.09  1.0

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