data_BiPW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.77
_cell_length_b   7.52
_cell_length_c   3.09
_cell_angle_alpha   82.76
_cell_angle_beta   73.97
_cell_angle_gamma   23.27
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiPW
_chemical_formula_sum   'Bi1 P1 W1'
_cell_volume   64.61
_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
  Bi  Bi0  1  0.71  0.58  0.23  1.0
  P  P1  1  0.71  0.58  0.37  1.0
  W  W2  1  0.71  0.58  0.05  1.0

data_BiPW
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.42
_cell_length_b   14.65
_cell_length_c   3.09
_cell_angle_alpha   90.0
_cell_angle_beta   123.62
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BiPW
_chemical_formula_sum   'Bi2 P2 W2'
_cell_volume   129.22
_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
  Bi  Bi0  2  0.48  0.0  0.06  1.0
  P  P1  2  0.34  0.0  0.92  1.0
  W  W2  2  0.16  0.5  0.24  1.0

Bi P W