data_[Ac2Er10Pb12]
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 [C2/m]
_cell_length_a [6.2131]
_cell_length_b [15.3123]
_cell_length_c [7.9158]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.5055]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [AcEr5Pb6]
_chemical_formula_sum '[Ac2 Er10 Pb12]'
_cell_volume [729.0781]
_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  2  0.0000  0.0000  0.0000  1
  Er  Er1  4  0.0000  0.3268  0.0000  1
  Er  Er2  4  0.0000  0.3481  0.5000  1
  Er  Er3  2  0.0000  0.0000  0.5000  1
  Pb  Pb4  8  0.0054  0.8246  0.7304  1
  Pb  Pb5  4  0.0291  0.5000  0.2402  1
]