data_ScCo2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.89
_cell_length_b   5.08
_cell_length_c   5.08
_cell_angle_alpha   42.34
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScCo2Pb
_chemical_formula_sum   'Sc1 Co2 Pb1'
_cell_volume   67.61
_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  0.76  1.0
  Co  Co0  1  0.94  0.0  0.7  1.0
  Co  Co1  1  0.0  0.0  0.96  1.0
  Pb  Pb2  1  0.94  0.0  0.53  1.0

data_ScCo2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.67
_cell_length_b   3.89
_cell_length_c   5.08
_cell_angle_alpha   90.0
_cell_angle_beta   111.17
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScCo2Pb
_chemical_formula_sum   'Sc1 Co2 Pb1'
_cell_volume   67.61
_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  0.24  0.0  0.24  1.0
  Co  Co1  1  0.04  0.0  0.04  1.0
  Co  Co2  1  0.3  0.94  0.3  1.0
  Pb  Pb3  1  0.47  0.94  0.47  1.0

Sc Co Co Pb