data_[Tm36Ni3Sn18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Ni  1.9100  1.3500  0.7400
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [12.9442]
_cell_length_b [12.9442]
_cell_length_c [11.9956]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Tm12NiSn6]
_chemical_formula_sum '[Tm36 Ni3 Sn18]'
_cell_volume [1740.5960]
_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
[
  Tm  Tm0  18  0.0308  0.1930  0.3914  1
  Tm  Tm1  18  0.0621  0.1916  0.8828  1
  Ni  Ni2  3  0.0000  0.0000  0.0000  1
  Sn  Sn3  18  0.0461  0.2837  0.6419  1
]