data_ScRhPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.63
_cell_length_b   5.63
_cell_length_c   5.63
_cell_angle_alpha   135.17
_cell_angle_beta   135.17
_cell_angle_gamma   65.27
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScRhPb2
_chemical_formula_sum   'Sc1 Rh1 Pb2'
_cell_volume   87.55
_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  Sc3  1  0.0  0.0  0.0  1.0
  Rh  Rh2  1  0.0  0.15  0.37  1.0
  Pb  Pb0  1  0.15  0.0  0.37  1.0
  Pb  Pb1  1  0.0  0.0  0.74  1.0

data_ScRhPb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.3
_cell_length_b   4.3
_cell_length_c   5.63
_cell_angle_alpha   112.42
_cell_angle_beta   112.42
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScRhPb2
_chemical_formula_sum   'Sc1 Rh1 Pb2'
_cell_volume   87.55
_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  Sc0  1  0.0  0.0  0.0  1.0
  Rh  Rh1  1  0.78  0.15  0.78  1.0
  Pb  Pb2  1  0.26  0.0  0.26  1.0
  Pb  Pb3  1  0.63  0.0  0.78  1.0

Sc Rh Pb Pb
Sc Rh Pb Pb 0 1 o o o 0 3 o o - 0 2 o o o 1 2 o o o 