data_[Tb3Ho36Tm21]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Ho  1.2300  1.7500  1.0410
  Tm  1.2500  1.7500  1.0950
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [12.6668]
_cell_length_b [12.6668]
_cell_length_c [13.4885]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [TbHo12Tm7]
_chemical_formula_sum '[Tb3 Ho36 Tm21]'
_cell_volume [1874.2475]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.0000  1
  Ho  Ho1  18  0.0010  0.4368  0.2490  1
  Ho  Ho2  18  0.0687  0.1992  0.3461  1
  Tm  Tm3  18  0.0688  0.8684  0.8494  1
  Tm  Tm4  3  0.0000  0.0000  0.5000  1
]