data_BaBW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.89
_cell_length_b   3.13
_cell_length_c   5.99
_cell_angle_alpha   90.0
_cell_angle_beta   112.17
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaBW2
_chemical_formula_sum   'Ba1 B1 W2'
_cell_volume   84.77
_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  Ba1  1  0.87  0.0  0.77  1.0
  B  B0  1  0.0  0.0  0.0  1.0
  W  W2  1  0.33  0.57  0.62  1.0
  W  W3  1  0.3  0.57  0.92  1.0

data_BaBW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.13
_cell_length_b   4.89
_cell_length_c   5.99
_cell_angle_alpha   112.17
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaBW2
_chemical_formula_sum   'Ba1 B1 W2'
_cell_volume   84.77
_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  0.13  0.23  1.0
  B  B1  1  0.0  0.0  0.0  1.0
  W  W2  1  0.43  0.67  0.38  1.0
  W  W3  1  0.43  0.7  0.08  1.0

Ba B W W