data_[Pr4Sm20Tm8Th4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Sm  1.1700  1.8500  1.2290
  Tm  1.2500  1.7500  1.0950
  Th  1.3000  1.8000  1.0800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [5.6824]
_cell_length_b [20.3309]
_cell_length_c [10.5027]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [PrSm5Tm2Th]
_chemical_formula_sum '[Pr4 Sm20 Tm8 Th4]'
_cell_volume [1213.3578]
_cell_formula_units_Z [4]
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
[
  Pr  Pr0  4  0.0000  0.4117  0.9450  1
  Sm  Sm1  4  0.0000  0.0155  0.5225  1
  Sm  Sm2  4  0.0000  0.2765  0.8154  1
  Sm  Sm3  4  0.0000  0.2942  0.2061  1
  Sm  Sm4  4  0.0000  0.3878  0.5274  1
  Sm  Sm5  4  0.0000  0.4764  0.2396  1
  Tm  Tm6  4  0.0000  0.1135  0.2343  1
  Tm  Tm7  4  0.0000  0.1154  0.8192  1
  Th  Th8  4  0.0000  0.1988  0.5145  1
]