data_[Sm12Dy8Er20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Dy  1.2200  1.7500  1.1310
  Er  1.2400  1.7500  1.0300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.6287]
_cell_length_b [15.8066]
_cell_length_c [9.3881]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.3792]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Sm3Dy2Er5]
_chemical_formula_sum '[Sm12 Dy8 Er20]'
_cell_volume [1301.7271]
_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
[
  Sm  Sm0  8  0.1457  0.1234  0.0469  1
  Sm  Sm1  4  0.0000  0.2337  0.2500  1
  Dy  Dy2  8  0.1514  0.3816  0.5477  1
  Er  Er3  8  0.2422  0.3869  0.2344  1
  Er  Er4  4  0.0000  0.0263  0.2500  1
  Er  Er5  4  0.0000  0.2714  0.7500  1
  Er  Er6  4  0.0000  0.4714  0.7500  1
]