data_Sc2RePb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.79
_cell_length_b   9.79
_cell_length_c   9.79
_cell_angle_alpha   19.11
_cell_angle_beta   19.11
_cell_angle_gamma   19.11
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2RePb
_chemical_formula_sum   'Sc2 Re1 Pb1'
_cell_volume   87.98
_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
  Sc  Sc2  1  0.0  0.0  0.49  1.0
  Sc  Sc3  1  0.0  0.0  0.68  1.0
  Re  Re1  1  0.0  0.0  0.25  1.0
  Pb  Pb0  1  0.0  0.0  0.65  1.0

data_Sc2RePb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.63
_cell_length_b   3.25
_cell_length_c   9.79
_cell_angle_alpha   90.0
_cell_angle_beta   101.05
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Sc2RePb
_chemical_formula_sum   'Sc4 Re2 Pb2'
_cell_volume   175.96
_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
  Sc  Sc0  2  -0.0  0.0  0.51  1.0
  Sc  Sc1  2  -0.0  0.0  0.32  1.0
  Re  Re2  2  -0.0  0.0  0.75  1.0
  Pb  Pb3  2  -0.0  0.0  0.35  1.0

Sc Sc Re Pb