data_[Sm6Y8Ho16]
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/m]
_cell_length_a [13.3744]
_cell_length_b [12.7828]
_cell_length_c [6.7566]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.2760]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm3(YHo2)4]
_chemical_formula_sum '[Sm6 Y8 Ho16]'
_cell_volume [997.5735]
_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
[
  Sm  Sm0  4  0.2500  0.2500  0.5000  1
  Sm  Sm1  2  0.0000  0.5000  0.5000  1
  Y  Y2  4  0.2500  0.2500  0.0000  1
  Y  Y3  2  0.0000  0.0000  0.0000  1
  Y  Y4  2  0.0000  0.0000  0.5000  1
  Ho  Ho5  4  0.0000  0.2547  0.5000  1
  Ho  Ho6  4  0.0000  0.3594  0.0000  1
  Ho  Ho7  4  0.2301  0.5000  0.4640  1
  Ho  Ho8  4  0.2329  0.5000  0.9896  1
]