data_[Tb8Sm20Er4Th4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Sm  1.1700  1.8500  1.2290
  Er  1.2400  1.7500  1.0300
  Th  1.3000  1.8000  1.0800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [5.6352]
_cell_length_b [20.4206]
_cell_length_c [10.5447]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Tb2Sm5ErTh]
_chemical_formula_sum '[Tb8 Sm20 Er4 Th4]'
_cell_volume [1213.4280]
_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
[
  Tb  Tb0  4  0.0000  0.1129  0.2360  1
  Tb  Tb1  4  0.0000  0.1148  0.8123  1
  Sm  Sm2  4  0.0000  0.0143  0.5185  1
  Sm  Sm3  4  0.0000  0.2759  0.8129  1
  Sm  Sm4  4  0.0000  0.2946  0.2049  1
  Sm  Sm5  4  0.0000  0.3863  0.5251  1
  Sm  Sm6  4  0.0000  0.4812  0.2440  1
  Er  Er7  4  0.0000  0.4058  0.9582  1
  Th  Th8  4  0.0000  0.1985  0.5120  1
]