data_ReTe2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.16
_cell_length_b   3.16
_cell_length_c   11.18
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   113.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReTe2Pb
_chemical_formula_sum   'Re1 Te2 Pb1'
_cell_volume   102.01
_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  0.65  1.0
  Te  Te2  1  0.72  0.0  0.61  1.0
  Te  Te3  1  0.0  0.0  0.42  1.0
  Pb  Pb0  1  0.72  0.0  0.09  1.0

data_ReTe2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.16
_cell_length_b   3.16
_cell_length_c   11.18
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   113.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReTe2Pb
_chemical_formula_sum   'Re1 Te2 Pb1'
_cell_volume   102.01
_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  0.65  1.0
  Te  Te1  1  0.0  0.0  0.42  1.0
  Te  Te2  1  0.72  0.0  0.61  1.0
  Pb  Pb3  1  0.72  0.0  0.09  1.0

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