data_ReAsPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.26
_cell_length_b   3.26
_cell_length_c   6.97
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReAsPb
_chemical_formula_sum   'Re1 As1 Pb1'
_cell_volume   63.93
_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  Re2  1  0.0  0.88  0.88  1.0
  As  As0  1  0.0  0.0  0.51  1.0
  Pb  Pb1  1  0.63  0.94  0.54  1.0

data_ReAsPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.26
_cell_length_b   3.26
_cell_length_c   6.97
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReAsPb
_chemical_formula_sum   'Re1 As1 Pb1'
_cell_volume   63.93
_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  0.88  0.88  1.0
  As  As1  1  0.0  0.0  0.51  1.0
  Pb  Pb2  1  0.63  0.94  0.54  1.0

Re As Pb
Re As Pb 0 0 + + o 0 0 o + o 0 0 + o o 0 1 o + o 0 2 - o o 0 2 o o o 1 2 - - o 