data_ZrRe2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.09
_cell_length_b   9.09
_cell_length_c   9.09
_cell_angle_alpha   20.03
_cell_angle_beta   20.03
_cell_angle_gamma   20.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrRe2Pb
_chemical_formula_sum   'Zr1 Re2 Pb1'
_cell_volume   77.05
_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
  Zr  Zr3  1  0.0  0.0  0.0  1.0
  Re  Re1  1  0.0  0.0  0.93  1.0
  Re  Re2  1  0.0  0.0  0.78  1.0
  Pb  Pb0  1  0.0  0.0  0.36  1.0

data_ZrRe2Pb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.47
_cell_length_b   3.16
_cell_length_c   9.09
_cell_angle_alpha   90.0
_cell_angle_beta   101.58
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ZrRe2Pb
_chemical_formula_sum   'Zr2 Re4 Pb2'
_cell_volume   154.1
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Zr  Zr0  2  0.0  0.0  0.0  1.0
  Re  Re1  2  -0.0  0.0  0.22  1.0
  Re  Re2  2  -0.0  0.0  0.07  1.0
  Pb  Pb3  2  0.0  0.0  0.64  1.0

Zr Re Re Pb