data_Pb4W5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.23
_cell_length_b   7.23
_cell_length_c   7.23
_cell_angle_alpha   94.94
_cell_angle_beta   94.94
_cell_angle_gamma   145.89
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pb4W5
_chemical_formula_sum   'Pb4 W5'
_cell_volume   202.91
_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
  Pb  Pb0  1  0.0  0.75  0.0  1.0
  Pb  Pb1  1  0.0  0.03  0.0  1.0
  Pb  Pb2  1  0.03  0.0  0.0  1.0
  Pb  Pb3  1  0.75  0.0  0.0  1.0
  W  W4  1  0.0  0.0  0.0  1.0
  W  W5  1  0.71  0.29  0.12  1.0
  W  W6  1  0.29  0.71  0.12  1.0
  W  W7  1  0.6  0.6  0.0  1.0
  W  W8  1  0.29  0.29  0.12  1.0

data_Pb4W5
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.24
_cell_length_b   13.83
_cell_length_c   7.23
_cell_angle_alpha   90.0
_cell_angle_beta   107.06
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Pb4W5
_chemical_formula_sum   'Pb8 W10'
_cell_volume   405.83
_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
  Pb  Pb0  4  0.13  0.13  -0.0  1.0
  Pb  Pb1  4  0.48  0.48  0.0  1.0
  W  W2  4  0.12  0.29  0.12  1.0
  W  W3  2  0.0  0.0  0.0  1.0
  W  W4  2  0.33  0.5  0.12  1.0
  W  W5  2  0.4  0.0  -0.0  1.0

Pb Pb Pb Pb W W W W W