data_ScNiPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.05
_cell_length_b   6.05
_cell_length_c   6.05
_cell_angle_alpha   148.58
_cell_angle_beta   148.58
_cell_angle_gamma   45.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScNiPb
_chemical_formula_sum   'Sc1 Ni1 Pb1'
_cell_volume   59.87
_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  0.0  0.0  0.11  1.0
  Ni  Ni0  1  0.0  0.0  0.14  1.0
  Pb  Pb1  1  0.0  0.0  0.92  1.0

data_ScNiPb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.63
_cell_length_b   4.63
_cell_length_c   6.05
_cell_angle_alpha   90.0
_cell_angle_beta   112.51
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ScNiPb
_chemical_formula_sum   'Sc2 Ni2 Pb2'
_cell_volume   119.75
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.89  1.0
  Ni  Ni1  2  0.0  0.0  0.86  1.0
  Pb  Pb2  2  0.0  0.0  0.08  1.0

Sc Ni Pb
Sc Ni Pb 0 1 o o o 0 2 o o - 1 2 o o - 