data_Sc2CuPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.59
_cell_length_b   4.59
_cell_length_c   6.38
_cell_angle_alpha   101.65
_cell_angle_beta   101.65
_cell_angle_gamma   43.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2CuPb
_chemical_formula_sum   'Sc2 Cu1 Pb1'
_cell_volume   90.72
_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  0.98  0.0  0.32  1.0
  Sc  Sc3  1  0.14  0.0  0.91  1.0
  Cu  Cu0  1  0.0  0.0  0.0  1.0
  Pb  Pb1  1  0.56  0.0  0.11  1.0

data_Sc2CuPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.42
_cell_length_b   4.59
_cell_length_c   6.38
_cell_angle_alpha   101.65
_cell_angle_beta   90.0
_cell_angle_gamma   111.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2CuPb
_chemical_formula_sum   'Sc2 Cu1 Pb1'
_cell_volume   90.72
_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  0.02  0.68  1.0
  Sc  Sc1  1  0.0  0.86  0.09  1.0
  Cu  Cu2  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.0  0.44  0.89  1.0

Sc Sc Cu Pb