data_[Tb4Er8Tm4Sc20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Er  1.2400  1.7500  1.0300
  Tm  1.2500  1.7500  1.0950
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [5.3074]
_cell_length_b [18.4191]
_cell_length_c [10.3142]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [TbEr2TmSc5]
_chemical_formula_sum '[Tb4 Er8 Tm4 Sc20]'
_cell_volume [1008.2821]
_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  4  0.0000  0.2088  0.0081  1
  Er  Er1  4  0.0000  0.1059  0.7350  1
  Er  Er2  4  0.0000  0.1129  0.3238  1
  Tm  Tm3  4  0.0000  0.4172  0.4601  1
  Sc  Sc4  4  0.0000  0.0216  0.0337  1
  Sc  Sc5  4  0.0000  0.2873  0.2963  1
  Sc  Sc6  4  0.0000  0.2983  0.7082  1
  Sc  Sc7  4  0.0000  0.4000  0.0239  1
  Sc  Sc8  4  0.0000  0.4778  0.7349  1
]