data_[Er4Tm16Pb12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Tm  1.2500  1.7500  1.0950
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [11.9607]
_cell_length_b [11.9607]
_cell_length_c [6.3053]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [140]
_chemical_formula_structural [ErTm4Pb3]
_chemical_formula_sum '[Er4 Tm16 Pb12]'
_cell_volume [902.0272]
_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
[
  Er  Er0  4  0.0000  0.5000  0.2500  1
  Tm  Tm1  16  0.0783  0.2218  0.5000  1
  Pb  Pb2  8  0.1650  0.3350  0.0000  1
  Pb  Pb3  4  0.0000  0.0000  0.2500  1
]