data_BaW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.05
_cell_length_b   7.05
_cell_length_c   8.2
_cell_angle_alpha   103.31
_cell_angle_beta   103.31
_cell_angle_gamma   31.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaW
_chemical_formula_sum   'Ba3 W3'
_cell_volume   205.08
_cell_formula_units_Z   3
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  0.95  0.0  0.94  1.0
  Ba  Ba1  1  0.55  0.0  0.79  1.0
  Ba  Ba2  1  0.55  0.0  0.42  1.0
  W  W3  1  0.95  0.0  0.86  1.0
  W  W4  1  0.61  0.0  0.5  1.0
  W  W5  1  0.3  0.0  0.01  1.0

data_BaW
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.79
_cell_length_b   7.05
_cell_length_c   8.2
_cell_angle_alpha   103.31
_cell_angle_beta   90.0
_cell_angle_gamma   105.6
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaW
_chemical_formula_sum   'Ba3 W3'
_cell_volume   205.08
_cell_formula_units_Z   3
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  0.05  0.06  1.0
  Ba  Ba1  1  0.0  0.45  0.21  1.0
  Ba  Ba2  1  0.0  0.45  0.58  1.0
  W  W3  1  0.0  0.05  0.14  1.0
  W  W4  1  0.0  0.39  0.5  1.0
  W  W5  1  0.0  0.7  0.99  1.0

Ba Ba Ba W W W