data_[Sm4Ho20Er12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Ho  1.2300  1.7500  1.0410
  Er  1.2400  1.7500  1.0300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.7203]
_cell_length_b [7.9242]
_cell_length_c [12.1348]
_cell_angle_alpha [90.0000]
_cell_angle_beta [130.6085]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SmHo5Er3]
_chemical_formula_sum '[Sm4 Ho20 Er12]'
_cell_volume [1220.6061]
_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  0.2353  0.0000  0.1292  1
  Ho  Ho1  8  0.0642  0.2066  0.7798  1
  Ho  Ho2  4  0.0000  0.3209  0.0000  1
  Ho  Ho3  4  0.1234  0.0000  0.5659  1
  Ho  Ho4  4  0.2012  0.5000  0.0715  1
  Er  Er5  4  0.1208  0.5000  0.3163  1
  Er  Er6  4  0.1717  0.0000  0.3387  1
  Er  Er7  2  0.0000  0.0000  0.0000  1
  Er  Er8  2  0.0000  0.5000  0.5000  1
]