data_[Tb12Er6Tm2Th4]
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 [6.1432]
_cell_length_b [10.6309]
_cell_length_c [11.7702]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.0266]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb6Er3TmTh2]
_chemical_formula_sum '[Tb12 Er6 Tm2 Th4]'
_cell_volume [756.9399]
_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  8  0.2488  0.3322  0.7513  1
  Tb  Tb1  4  0.2474  0.5000  0.2491  1
  Er  Er2  4  0.0000  0.1666  0.5000  1
  Er  Er3  2  0.0000  0.5000  0.5000  1
  Tm  Tm4  2  0.0000  0.0000  0.0000  1
  Th  Th5  4  0.0000  0.3335  0.0000  1
]