data_SbPbW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.12
_cell_length_b   5.12
_cell_length_c   5.67
_cell_angle_alpha   104.56
_cell_angle_beta   104.56
_cell_angle_gamma   37.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SbPbW2
_chemical_formula_sum   'Sb1 Pb1 W2'
_cell_volume   87.52
_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
  Sb  Sb1  1  0.38  0.0  0.51  1.0
  Pb  Pb0  1  0.03  0.0  0.48  1.0
  W  W2  1  0.77  0.0  0.46  1.0
  W  W3  1  0.62  0.0  0.21  1.0

data_SbPbW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.3
_cell_length_b   5.12
_cell_length_c   5.67
_cell_angle_alpha   104.56
_cell_angle_beta   90.0
_cell_angle_gamma   108.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SbPbW2
_chemical_formula_sum   'Sb1 Pb1 W2'
_cell_volume   87.52
_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
  Sb  Sb0  1  0.0  0.62  0.49  1.0
  Pb  Pb1  1  0.0  0.97  0.52  1.0
  W  W2  1  0.0  0.23  0.54  1.0
  W  W3  1  0.0  0.38  0.79  1.0

Sb Pb W W
Sb Pb W W 0 1 o o o 0 2 o o o 1 2 - o o 2 3 o o o 