data_YPb2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.78
_cell_length_b   4.78
_cell_length_c   4.14
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   92.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YPb2W
_chemical_formula_sum   'Y1 Pb2 W1'
_cell_volume   94.36
_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
  Y  Y3  1  0.0  0.0  0.0  1.0
  Pb  Pb0  1  0.65  0.73  0.07  1.0
  Pb  Pb1  1  0.65  0.27  0.07  1.0
  W  W2  1  0.29  0.0  0.0  1.0

data_YPb2W
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.14
_cell_length_b   4.78
_cell_length_c   4.78
_cell_angle_alpha   92.8
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YPb2W
_chemical_formula_sum   'Y1 Pb2 W1'
_cell_volume   94.36
_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
  Y  Y0  1  0.0  0.0  0.0  1.0
  Pb  Pb1  1  0.07  0.65  0.27  1.0
  Pb  Pb2  1  0.07  0.65  0.73  1.0
  W  W3  1  0.0  0.29  0.0  1.0

Y Pb Pb W
Y Pb Pb W 0 3 o o o 0 1 - - o 0 2 - o o 1 3 o + o 1 2 o o o 2 3 o o o 