data_[Er36Tm21Pb3]
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 [R-3]
_cell_length_a [11.9245]
_cell_length_b [11.9245]
_cell_length_c [15.1703]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Er12Tm7Pb]
_chemical_formula_sum '[Er36 Tm21 Pb3]'
_cell_volume [1868.1329]
_cell_formula_units_Z [3]
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  18  0.0286  0.4513  0.7088  1
  Er  Er1  18  0.0571  0.5866  0.0872  1
  Tm  Tm2  18  0.0505  0.1879  0.8022  1
  Tm  Tm3  3  -0.0000  0.0000  0.5000  1
  Pb  Pb4  3  0.0000  0.0000  0.0000  1
]