data_[Sm4Tm24Ni8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Tm  1.2500  1.7500  1.0950
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [9.0267]
_cell_length_b [10.0743]
_cell_length_c [10.1328]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Sm(Tm3Ni)2]
_chemical_formula_sum '[Sm4 Tm24 Ni8]'
_cell_volume [921.4554]
_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  2  0.0000  0.0000  0.0000  1
  Sm  Sm1  2  0.0000  0.0000  0.5000  1
  Tm  Tm2  8  0.0000  0.2225  0.2233  1
  Tm  Tm3  8  0.1974  0.6929  0.5000  1
  Tm  Tm4  8  0.1986  0.5000  0.1908  1
  Ni  Ni5  4  0.0000  0.3734  0.0000  1
  Ni  Ni6  4  0.0000  0.5000  0.3806  1
]