data_[Tb2Dy12Er6Sc4]
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 [C2/m]
_cell_length_a [6.0512]
_cell_length_b [10.4690]
_cell_length_c [11.5345]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.0290]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TbDy6Er3Sc2]
_chemical_formula_sum '[Tb2 Dy12 Er6 Sc4]'
_cell_volume [719.5549]
_cell_formula_units_Z [2]
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  2  0.0000  0.0000  0.0000  1
  Dy  Dy1  8  0.2497  0.3322  0.7541  1
  Dy  Dy2  4  0.2466  0.5000  0.2459  1
  Er  Er3  4  0.0000  0.1670  0.5000  1
  Er  Er4  2  0.0000  0.5000  0.5000  1
  Sc  Sc5  4  0.0000  0.3333  0.0000  1
]