data_[Sm36Ho18Zr3]
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 [R-3]
_cell_length_a [15.5543]
_cell_length_b [15.5543]
_cell_length_c [8.7413]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Sm12Ho6Zr]
_chemical_formula_sum '[Sm36 Ho18 Zr3]'
_cell_volume [1831.4908]
_cell_formula_units_Z [3]
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  18  0.0355  0.7545  0.3373  1
  Sm  Sm1  18  0.0755  0.5119  0.6664  1
  Ho  Ho2  18  0.0171  0.8809  0.6718  1
  Zr  Zr3  3  0.0000  0.0000  0.0000  1
]