data_Sc2CrPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.2
_cell_length_b   4.76
_cell_length_c   5.56
_cell_angle_alpha   90.0
_cell_angle_beta   101.47
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2CrPb
_chemical_formula_sum   'Sc2 Cr1 Pb1'
_cell_volume   83.07
_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  0.14  0.0  0.24  1.0
  Sc  Sc3  1  0.08  0.38  0.67  1.0
  Cr  Cr0  1  0.55  0.0  0.53  1.0
  Pb  Pb1  1  0.48  0.38  0.18  1.0

data_Sc2CrPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.2
_cell_length_b   4.76
_cell_length_c   5.56
_cell_angle_alpha   90.0
_cell_angle_beta   101.47
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2CrPb
_chemical_formula_sum   'Sc2 Cr1 Pb1'
_cell_volume   83.07
_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  0.08  0.38  0.67  1.0
  Sc  Sc1  1  0.14  0.0  0.24  1.0
  Cr  Cr2  1  0.55  0.0  0.53  1.0
  Pb  Pb3  1  0.48  0.38  0.18  1.0

Sc Sc Cr Pb