data_BiW5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.46
_cell_length_b   5.46
_cell_length_c   4.58
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   130.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiW5
_chemical_formula_sum   'Bi1 W5'
_cell_volume   104.13
_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
  Bi  Bi0  1  0.3  0.0  0.29  1.0
  W  W1  1  0.3  0.74  0.0  1.0
  W  W2  1  0.3  0.23  0.29  1.0
  W  W3  1  0.0  0.0  0.0  1.0
  W  W4  1  0.3  0.77  0.29  1.0
  W  W5  1  0.3  0.26  0.0  1.0

data_BiW5
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.58
_cell_length_b   4.6
_cell_length_c   5.46
_cell_angle_alpha   114.93
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiW5
_chemical_formula_sum   'Bi1 W5'
_cell_volume   104.13
_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
  Bi  Bi0  1  0.29  0.0  0.3  1.0
  W  W1  1  -0.0  0.26  0.56  1.0
  W  W2  1  0.0  0.0  0.0  1.0
  W  W3  1  0.0  0.74  0.04  1.0
  W  W4  1  0.29  0.23  0.53  1.0
  W  W5  1  0.29  0.77  0.07  1.0

Bi W W W W W
Bi W W W W W 0 2 o o o 0 4 o - o 1 4 o o o 2 5 o o o 3 5 o o o 