data_[Sm4Tm12Ni4]
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 [C2/m]
_cell_length_a [12.9634]
_cell_length_b [3.5843]
_cell_length_c [11.5701]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.5033]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SmTm3Ni]
_chemical_formula_sum '[Sm4 Tm12 Ni4]'
_cell_volume [535.9402]
_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  0.1646  0.0000  0.9043  1.0
  Tm  Tm1  4  0.0382  0.0000  0.6378  1.0
  Tm  Tm2  4  0.0727  0.5000  0.1423  1.0
  Tm  Tm3  4  0.2282  0.0000  0.3647  1.0
  Ni  Ni4  4  0.0995  0.5000  0.4658  1.0
]