data_[Tb1Dy3Tm12]
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
  Tm  1.2500  1.7500  1.0950
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.9433]
_cell_length_b [4.9433]
_cell_length_c [19.7757]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Tb(DyTm4)3]
_chemical_formula_sum '[Tb1 Dy3 Tm12]'
_cell_volume [483.2524]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.0000  1
  Dy  Dy1  2  0.0000  0.0000  0.2500  1
  Dy  Dy2  1  0.0000  0.0000  0.5000  1
  Tm  Tm3  4  0.0000  0.5000  0.1251  1
  Tm  Tm4  4  0.0000  0.5000  0.3750  1
  Tm  Tm5  2  0.5000  0.5000  0.2501  1
  Tm  Tm6  1  0.5000  0.5000  0.0000  1
  Tm  Tm7  1  0.5000  0.5000  0.5000  1
]