data_[Sm40Ho24Zr96]
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
  Zr  1.3300  1.5500  0.8600
]
_symmetry_space_group_name_H-M [Ia-3d]
_cell_length_a [17.8408]
_cell_length_b [17.8408]
_cell_length_c [17.8408]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [230]
_chemical_formula_structural [Sm5(HoZr4)3]
_chemical_formula_sum '[Sm40 Ho24 Zr96]'
_cell_volume [5678.5811]
_cell_formula_units_Z [8]
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  24  0.0000  0.2500  0.3750  1
  Sm  Sm1  16  0.0000  0.0000  0.0000  1
  Ho  Ho2  24  0.0000  0.2500  0.1250  1
  Zr  Zr3  96  0.0074  0.0819  0.1474  1
]