data_[Rb2Sc2Pb2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Sc  1.3600  1.6000  0.8850
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [5.0183]
_cell_length_b [5.0183]
_cell_length_c [11.8442]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [RbScPb]
_chemical_formula_sum '[Rb2 Sc2 Pb2]'
_cell_volume [258.3146]
_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
[
  Rb  Rb0  1  0.3333  0.6667  0.7596  1
  Rb  Rb1  1  0.6667  0.3333  0.0945  1
  Sc  Sc2  1  0.0000  0.0000  0.3321  1
  Sc  Sc3  1  0.6667  0.3333  0.4776  1
  Pb  Pb4  1  0.0000  0.0000  0.5756  1
  Pb  Pb5  1  0.3333  0.6667  0.3242  1
]