data_Pt2PbW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.0
_cell_length_b   5.0
_cell_length_c   5.0
_cell_angle_alpha   130.31
_cell_angle_beta   130.31
_cell_angle_gamma   72.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pt2PbW
_chemical_formula_sum   'Pt2 Pb1 W1'
_cell_volume   70.82
_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
  Pt  Pt1  1  0.0  0.0  0.02  1.0
  Pt  Pt2  1  0.0  0.1  0.01  1.0
  Pb  Pb0  1  0.1  0.0  0.01  1.0
  W  W3  1  0.0  0.0  0.0  1.0

data_Pt2PbW
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.94
_cell_length_b   5.94
_cell_length_c   5.0
_cell_angle_alpha   90.0
_cell_angle_beta   126.46
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Pt2PbW
_chemical_formula_sum   'Pt4 Pb2 W2'
_cell_volume   141.64
_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
  Pt  Pt0  2  0.1  0.0  0.09  1.0
  Pt  Pt1  2  0.5  0.5  0.98  1.0
  Pb  Pb2  2  0.0  0.0  0.09  1.0
  W  W3  2  0.0  0.0  0.0  1.0

Pt Pt Pb W