data_[Tb2Y2Th28]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Y  1.2200  1.8000  1.0400
  Th  1.3000  1.8000  1.0800
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [11.5873]
_cell_length_b [7.1712]
_cell_length_c [12.4345]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [TbYTh14]
_chemical_formula_sum '[Tb2 Y2 Th28]'
_cell_volume [1033.2545]
_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  2  0.5000  0.0000  0.9599  1
  Y  Y1  2  0.5000  0.0000  0.4597  1
  Th  Th2  8  0.2494  0.2499  0.8749  1
  Th  Th3  4  0.0000  0.2500  0.0418  1
  Th  Th4  4  0.2489  0.0000  0.6250  1
  Th  Th5  4  0.2491  0.0000  0.1251  1
  Th  Th6  4  0.5000  0.2498  0.2065  1
  Th  Th7  2  0.0000  0.0000  0.2920  1
  Th  Th8  2  0.0000  0.0000  0.7920  1
]