data_[Tb4Er6Tm12Th2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Er  1.2400  1.7500  1.0300
  Tm  1.2500  1.7500  1.0950
  Th  1.3000  1.8000  1.0800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.0938]
_cell_length_b [10.5453]
_cell_length_c [11.6256]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.0566]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb2Er3Tm6Th]
_chemical_formula_sum '[Tb4 Er6 Tm12 Th2]'
_cell_volume [735.5944]
_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  4  0.0000  0.3333  0.0000  1
  Er  Er1  4  0.0000  0.1673  0.5000  1
  Er  Er2  2  0.0000  0.5000  0.5000  1
  Tm  Tm3  8  0.2491  0.1651  0.2506  1
  Tm  Tm4  4  0.2459  0.0000  0.7493  1
  Th  Th5  2  0.0000  0.0000  0.0000  1
]