data_ScZnPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.51
_cell_length_b   5.51
_cell_length_c   5.56
_cell_angle_alpha   103.54
_cell_angle_beta   103.54
_cell_angle_gamma   38.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScZnPb2
_chemical_formula_sum   'Sc1 Zn1 Pb2'
_cell_volume   102.8
_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  0.0  0.0  0.0  1.0
  Zn  Zn3  1  0.5  0.0  0.69  1.0
  Pb  Pb0  1  0.45  0.0  0.36  1.0
  Pb  Pb1  1  0.55  0.0  0.03  1.0

data_ScZnPb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.67
_cell_length_b   5.51
_cell_length_c   5.56
_cell_angle_alpha   103.54
_cell_angle_beta   90.0
_cell_angle_gamma   109.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScZnPb2
_chemical_formula_sum   'Sc1 Zn1 Pb2'
_cell_volume   102.8
_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  0.0  0.0  1.0
  Zn  Zn1  1  0.0  0.5  0.31  1.0
  Pb  Pb2  1  0.0  0.45  0.97  1.0
  Pb  Pb3  1  0.0  0.55  0.64  1.0

Sc Zn Pb Pb