data_[Sm4Dy4Er12]
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/m]
_cell_length_a [21.3964]
_cell_length_b [3.5444]
_cell_length_c [8.8220]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.4726]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SmDyEr3]
_chemical_formula_sum '[Sm4 Dy4 Er12]'
_cell_volume [634.5728]
_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  4  0.1775  0.5000  0.9053  1.0
  Dy  Dy1  4  0.0904  0.0000  0.1238  1.0
  Er  Er2  4  0.0354  0.0000  0.6993  1.0
  Er  Er3  4  0.1142  0.5000  0.4798  1.0
  Er  Er4  4  0.2397  0.5000  0.3212  1.0
]