data_[Tb2Sm6Y4Er12]
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
  Y  1.2200  1.8000  1.0400
  Er  1.2400  1.7500  1.0300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.1672]
_cell_length_b [10.6742]
_cell_length_c [11.7644]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.0064]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TbSm3(YEr3)2]
_chemical_formula_sum '[Tb2 Sm6 Y4 Er12]'
_cell_volume [762.6619]
_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  0.0000  0.0000  0.0000  1.0
  Sm  Sm1  4  0.0000  0.1668  0.5000  1.0
  Sm  Sm2  2  0.0000  0.5000  0.5000  1.0
  Y  Y3  4  0.0000  0.3333  0.0000  1.0
  Er  Er4  8  0.2495  0.1664  0.2486  1.0
  Er  Er5  4  0.2496  0.0000  0.7514  1.0
]