data_[Er16Sc4Pb2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Sc  1.3600  1.6000  0.8850
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.5509]
_cell_length_b [4.8387]
_cell_length_c [7.7421]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.0463]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er8Sc2Pb]
_chemical_formula_sum '[Er16 Sc4 Pb2]'
_cell_volume [631.8625]
_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
[
  Er  Er0  4  0.0461  0.0000  0.7225  1
  Er  Er1  4  0.0948  0.5000  0.4480  1
  Er  Er2  4  0.1398  0.0000  0.1861  1
  Er  Er3  4  0.1826  0.5000  0.9097  1
  Sc  Sc4  4  0.2234  0.0000  0.6318  1
  Pb  Pb5  2  0.0000  0.5000  0.0000  1
]