data_RePbW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.95
_cell_length_b   4.13
_cell_length_c   5.96
_cell_angle_alpha   90.0
_cell_angle_beta   91.27
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   RePbW2
_chemical_formula_sum   'Re1 Pb1 W2'
_cell_volume   72.65
_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  0.93  0.0  0.98  1.0
  W  W2  1  0.4  0.07  0.23  1.0
  W  W3  1  0.41  0.07  0.73  1.0

data_RePbW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.95
_cell_length_b   4.13
_cell_length_c   5.96
_cell_angle_alpha   90.0
_cell_angle_beta   91.27
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   RePbW2
_chemical_formula_sum   'Re1 Pb1 W2'
_cell_volume   72.65
_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  0.93  0.0  0.98  1.0
  W  W2  1  0.4  0.07  0.23  1.0
  W  W3  1  0.41  0.07  0.73  1.0

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