data_[Tm36Ni3Ag18]
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
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [11.5733]
_cell_length_b [11.5733]
_cell_length_c [12.9569]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Tm12NiAg6]
_chemical_formula_sum '[Tm36 Ni3 Ag18]'
_cell_volume [1502.9584]
_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  0.0267  0.8390  0.8749  1
  Tm  Tm1  18  0.0382  0.1910  0.3910  1
  Ni  Ni2  3  0.0000  0.0000  0.0000  1
  Ag  Ag3  18  0.0010  0.3932  0.2591  1
]