data_[Sc4Ag4Pb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Ag  1.9300  1.6000  1.0867
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.3365]
_cell_length_b [4.4413]
_cell_length_c [14.0879]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [ScAgPb]
_chemical_formula_sum '[Sc4 Ag4 Pb4]'
_cell_volume [271.3292]
_cell_formula_units_Z [4]
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  2  0.5000  0.0000  0.0996  1.0
  Sc  Sc1  2  0.5000  0.0000  0.4143  1.0
  Ag  Ag2  2  0.0000  0.0000  0.2513  1.0
  Ag  Ag3  2  0.0000  0.0000  0.5913  1.0
  Pb  Pb4  2  0.0000  0.0000  0.9431  1.0
  Pb  Pb5  2  0.5000  0.0000  0.7491  1.0
]