data_Sc2NbPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.51
_cell_length_b   5.51
_cell_length_c   5.39
_cell_angle_alpha   99.14
_cell_angle_beta   99.14
_cell_angle_gamma   33.36
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2NbPb
_chemical_formula_sum   'Sc2 Nb1 Pb1'
_cell_volume   88.8
_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  0.56  0.0  0.26  1.0
  Sc  Sc3  1  0.79  0.0  0.43  1.0
  Nb  Nb0  1  0.9  0.0  0.6  1.0
  Pb  Pb1  1  0.89  0.0  0.0  1.0

data_Sc2NbPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.16
_cell_length_b   5.39
_cell_length_c   5.51
_cell_angle_alpha   99.14
_cell_angle_beta   106.68
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2NbPb
_chemical_formula_sum   'Sc2 Nb1 Pb1'
_cell_volume   88.8
_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  0.26  0.56  1.0
  Sc  Sc1  1  0.0  0.43  0.79  1.0
  Nb  Nb2  1  0.0  0.6  0.9  1.0
  Pb  Pb3  1  0.0  0.0  0.89  1.0

Sc Sc Nb Pb