data_[Sc4P6Pb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  P  2.1900  1.0000  0.5500
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Pbam]
_cell_length_a [7.5557]
_cell_length_b [9.9530]
_cell_length_c [4.2610]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [55]
_chemical_formula_structural [Sc2P3Pb2]
_chemical_formula_sum '[Sc4 P6 Pb4]'
_cell_volume [320.4388]
_cell_formula_units_Z [2]
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  4  0.1498  0.8999  0.5000  1
  P  P1  4  0.2379  0.1540  0.5000  1
  P  P2  2  0.0000  0.0000  0.0000  1
  Pb  Pb3  4  0.0149  0.6660  0.0000  1
]