data_MgScPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.45
_cell_length_b   3.45
_cell_length_c   8.73
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   97.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgScPb2
_chemical_formula_sum   'Mg1 Sc1 Pb2'
_cell_volume   103.03
_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
  Mg  Mg0  1  0.0  0.0  0.0  1.0
  Sc  Sc3  1  0.0  0.0  0.36  1.0
  Pb  Pb1  1  0.27  0.0  0.19  1.0
  Pb  Pb2  1  0.27  0.0  0.54  1.0

data_MgScPb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.45
_cell_length_b   3.45
_cell_length_c   8.73
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   97.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgScPb2
_chemical_formula_sum   'Mg1 Sc1 Pb2'
_cell_volume   103.03
_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
  Mg  Mg0  1  0.0  0.0  0.0  1.0
  Sc  Sc1  1  0.0  0.0  0.36  1.0
  Pb  Pb2  1  0.27  0.0  0.19  1.0
  Pb  Pb3  1  0.27  0.0  0.54  1.0

Mg Sc Pb Pb