data_[Sm4Ho12Ni4]
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
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.0677]
_cell_length_b [3.6097]
_cell_length_c [11.6513]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.2913]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SmHo3Ni]
_chemical_formula_sum '[Sm4 Ho12 Ni4]'
_cell_volume [548.0536]
_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  0.1656  0.0000  0.9043  1.0
  Ho  Ho1  4  0.0390  0.0000  0.6378  1.0
  Ho  Ho2  4  0.0718  0.5000  0.1413  1.0
  Ho  Ho3  4  0.2276  0.0000  0.3644  1.0
  Ni  Ni4  4  0.0992  0.5000  0.4652  1.0
]