data_ScMo2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.46
_cell_length_b   5.46
_cell_length_c   4.73
_cell_angle_alpha   114.81
_cell_angle_beta   114.81
_cell_angle_gamma   37.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScMo2Pb
_chemical_formula_sum   'Sc1 Mo2 Pb1'
_cell_volume   76.93
_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  Sc3  1  0.12  0.0  0.0  1.0
  Mo  Mo0  1  0.04  0.0  0.15  1.0
  Mo  Mo1  1  0.22  0.0  0.26  1.0
  Pb  Pb2  1  0.21  0.0  0.18  1.0

data_ScMo2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.51
_cell_length_b   4.73
_cell_length_c   5.46
_cell_angle_alpha   114.81
_cell_angle_beta   108.77
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScMo2Pb
_chemical_formula_sum   'Sc1 Mo2 Pb1'
_cell_volume   76.93
_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  0.12  1.0
  Mo  Mo1  1  0.0  0.15  0.04  1.0
  Mo  Mo2  1  0.0  0.26  0.22  1.0
  Pb  Pb3  1  0.0  0.18  0.21  1.0

Sc Mo Mo Pb