data_[Tb12Dy4Er4Sc4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Dy  1.2200  1.7500  1.1310
  Er  1.2400  1.7500  1.0300
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.9485]
_cell_length_b [14.8653]
_cell_length_c [9.9353]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Tb3DyErSc]
_chemical_formula_sum '[Tb12 Dy4 Er4 Sc4]'
_cell_volume [730.8477]
_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  0.0000  0.3331  0.5006  1.0
  Tb  Tb1  4  0.0000  0.1686  0.7500  1.0
  Dy  Dy2  4  0.0000  0.4976  0.7500  1.0
  Er  Er3  4  0.0000  0.0000  0.0000  1.0
  Sc  Sc4  4  0.0000  0.1669  0.2500  1.0
]