data_[Tb8Sm12Er20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Sm  1.1700  1.8500  1.2290
  Er  1.2400  1.7500  1.0300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [11.8588]
_cell_length_b [16.2887]
_cell_length_c [6.6062]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.8444]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Tb2Sm3Er5]
_chemical_formula_sum '[Tb8 Sm12 Er20]'
_cell_volume [1273.2150]
_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
[
  Tb  Tb0  8  0.1269  0.1512  0.6241  1.0
  Sm  Sm1  8  0.1247  0.2515  0.1227  1.0
  Sm  Sm2  4  0.0000  0.0365  0.2500  1.0
  Er  Er3  8  0.1231  0.3494  0.6224  1.0
  Er  Er4  8  0.2472  0.4624  0.9981  1.0
  Er  Er5  4  0.0000  0.4647  0.2500  1.0
]