data_RePbW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.45
_cell_length_b   5.45
_cell_length_c   5.45
_cell_angle_alpha   144.86
_cell_angle_beta   131.25
_cell_angle_gamma   61.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   RePbW2
_chemical_formula_sum   'Re1 Pb1 W2'
_cell_volume   69.34
_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
  Re  Re1  1  0.0  0.0  0.0  1.0
  Pb  Pb0  1  0.0  0.0  0.68  1.0
  W  W2  1  0.0  0.25  0.41  1.0
  W  W3  1  0.65  0.0  0.28  1.0

data_RePbW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.29
_cell_length_b   4.5
_cell_length_c   5.45
_cell_angle_alpha   114.37
_cell_angle_beta   107.57
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   RePbW2
_chemical_formula_sum   'Re1 Pb1 W2'
_cell_volume   69.34
_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
  Re  Re0  1  0.0  0.0  0.0  1.0
  Pb  Pb1  1  0.32  0.32  0.32  1.0
  W  W2  1  0.37  0.72  0.37  1.0
  W  W3  1  0.59  0.84  0.84  1.0

Re Pb W W