data_[Tb2Sm2Er6Th2]
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 [P2_1/m]
_cell_length_a [10.6328]
_cell_length_b [3.5600]
_cell_length_c [10.6378]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4010]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [TbSmEr3Th]
_chemical_formula_sum '[Tb2 Sm2 Er6 Th2]'
_cell_volume [379.8018]
_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  0.3728  0.2500  0.8741  1
  Sm  Sm1  2  0.1225  0.7500  0.2933  1
  Er  Er2  2  0.1271  0.7500  0.9588  1
  Er  Er3  2  0.3751  0.2500  0.5434  1
  Er  Er4  2  0.3769  0.2500  0.2080  1
  Th  Th5  2  0.1263  0.7500  0.6233  1
]