data_[Sm12Y20Ho8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Y  1.2200  1.8000  1.0400
  Ho  1.2300  1.7500  1.0410
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.7710]
_cell_length_b [16.0397]
_cell_length_c [9.3914]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.8847]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Sm3Y5Ho2]
_chemical_formula_sum '[Sm12 Y20 Ho8]'
_cell_volume [1330.9471]
_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  0.1451  0.3742  0.5470  1
  Sm  Sm1  4  0.0000  0.2711  0.7500  1
  Y  Y2  8  0.2417  0.1208  0.7352  1
  Y  Y3  4  0.0000  0.0269  0.2500  1
  Y  Y4  4  0.0000  0.2258  0.2500  1
  Y  Y5  4  0.0000  0.4759  0.7500  1
  Ho  Ho6  8  0.1513  0.1225  0.0459  1
]