data_[Tb16Pr4Er8Sc4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Pr  1.1300  1.8500  1.0600
  Er  1.2400  1.7500  1.0300
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.2073]
_cell_length_b [7.1018]
_cell_length_c [12.2242]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.1224]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb4PrEr2Sc]
_chemical_formula_sum '[Tb16 Pr4 Er8 Sc4]'
_cell_volume [1001.2785]
_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  0.0012  0.2486  0.2524  1.0
  Tb  Tb1  4  0.2466  0.0000  0.7426  1.0
  Tb  Tb2  4  0.2499  0.5000  0.7480  1.0
  Pr  Pr3  4  0.2500  0.2500  0.0000  1.0
  Er  Er4  4  0.2500  0.2500  0.5000  1.0
  Er  Er5  2  0.0000  0.5000  0.0000  1.0
  Er  Er6  2  0.0000  0.5000  0.5000  1.0
  Sc  Sc7  2  0.0000  0.0000  0.0000  1.0
  Sc  Sc8  2  0.0000  0.0000  0.5000  1.0
]