data_[Tm22Ni120C12]
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
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [Im-3m]
_cell_length_a [12.3972]
_cell_length_b [12.3972]
_cell_length_c [12.3972]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [229]
_chemical_formula_structural [Tm11(Ni10C)6]
_chemical_formula_sum '[Tm22 Ni120 C12]'
_cell_volume [1905.3443]
_cell_formula_units_Z [2]
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  16  0.1687  0.1687  0.1687  1
  Tm  Tm1  6  0.0000  0.0000  0.5000  1
  Ni  Ni2  48  0.0000  0.1481  0.3188  1
  Ni  Ni3  48  0.0932  0.3258  0.3258  1
  Ni  Ni4  12  0.0000  0.0000  0.1434  1
  Ni  Ni5  12  0.0000  0.2500  0.5000  1
  C  C6  12  0.0000  0.0000  0.2920  1
]