data_ScCrPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.47
_cell_length_b   4.6
_cell_length_c   5.83
_cell_angle_alpha   90.0
_cell_angle_beta   105.81
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScCrPb2
_chemical_formula_sum   'Sc1 Cr1 Pb2'
_cell_volume   89.68
_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  0.59  0.0  0.82  1.0
  Cr  Cr0  1  0.39  0.3  0.22  1.0
  Pb  Pb1  1  0.61  0.0  0.32  1.0
  Pb  Pb2  1  0.4  0.3  0.65  1.0

data_ScCrPb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.47
_cell_length_b   4.6
_cell_length_c   5.83
_cell_angle_alpha   90.0
_cell_angle_beta   105.81
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScCrPb2
_chemical_formula_sum   'Sc1 Cr1 Pb2'
_cell_volume   89.68
_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  0.59  0.0  0.82  1.0
  Cr  Cr1  1  0.39  0.3  0.22  1.0
  Pb  Pb2  1  0.4  0.3  0.65  1.0
  Pb  Pb3  1  0.61  0.0  0.32  1.0

Sc Cr Pb Pb
Sc Cr Pb Pb 0 3 o o o 1 2 o o o 