data_Sc2AgPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.96
_cell_length_b   5.96
_cell_length_c   4.77
_cell_angle_alpha   112.28
_cell_angle_beta   112.28
_cell_angle_gamma   35.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2AgPb
_chemical_formula_sum   'Sc2 Ag1 Pb1'
_cell_volume   90.5
_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  0.31  0.0  0.03  1.0
  Sc  Sc3  1  0.3  0.0  0.16  1.0
  Ag  Ag0  1  0.69  0.0  0.26  1.0
  Pb  Pb1  1  0.22  0.0  0.11  1.0

data_Sc2AgPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.65
_cell_length_b   4.77
_cell_length_c   5.96
_cell_angle_alpha   112.28
_cell_angle_beta   107.83
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2AgPb
_chemical_formula_sum   'Sc2 Ag1 Pb1'
_cell_volume   90.5
_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  0.03  0.31  1.0
  Sc  Sc1  1  0.0  0.16  0.3  1.0
  Ag  Ag2  1  0.0  0.26  0.69  1.0
  Pb  Pb3  1  0.0  0.11  0.22  1.0

Sc Sc Ag Pb