data_[Tb14Er2Th4]
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
  Th  1.3000  1.8000  1.0800
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [11.9755]
_cell_length_b [16.6338]
_cell_length_c [3.4922]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Tb7ErTh2]
_chemical_formula_sum '[Tb14 Er2 Th4]'
_cell_volume [695.6283]
_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  0.2431  0.3737  0.5000  1
  Tb  Tb1  4  0.0000  0.3308  0.0000  1
  Tb  Tb2  2  0.0000  0.5000  0.5000  1
  Er  Er3  2  0.0000  0.0000  0.0000  1
  Th  Th4  4  0.0000  0.1730  0.5000  1
]