data_[Ac6Er4Pb6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Er  1.2400  1.7500  1.0300
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.5351]
_cell_length_b [5.1801]
_cell_length_c [23.7005]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Ac3Er2Pb3]
_chemical_formula_sum '[Ac6 Er4 Pb6]'
_cell_volume [556.7795]
_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
[
  Ac  Ac0  4  0.0000  0.0000  0.3783  1
  Ac  Ac1  2  0.0000  0.5000  0.5000  1
  Er  Er2  4  0.0000  0.5000  0.2471  1
  Pb  Pb3  4  0.0000  0.0000  0.1532  1
  Pb  Pb4  2  0.0000  0.5000  0.0000  1
]