data_CoRe2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.32
_cell_length_b   9.32
_cell_length_c   9.32
_cell_angle_alpha   17.8
_cell_angle_beta   17.8
_cell_angle_gamma   17.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoRe2Pb
_chemical_formula_sum   'Co1 Re2 Pb1'
_cell_volume   66.15
_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
  Co  Co0  1  0.0  0.0  0.0  1.0
  Re  Re2  1  0.0  0.0  0.22  1.0
  Re  Re3  1  0.0  0.0  0.3  1.0
  Pb  Pb1  1  0.0  0.0  0.76  1.0

data_CoRe2Pb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.0
_cell_length_b   2.89
_cell_length_c   9.32
_cell_angle_alpha   90.0
_cell_angle_beta   100.29
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CoRe2Pb
_chemical_formula_sum   'Co2 Re4 Pb2'
_cell_volume   132.29
_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
  Co  Co0  2  0.0  0.0  0.0  1.0
  Re  Re1  2  0.0  0.0  0.7  1.0
  Re  Re2  2  0.0  0.0  0.78  1.0
  Pb  Pb3  2  0.0  0.0  0.24  1.0

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