data_[Li2Tm16C8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Tm  1.2500  1.7500  1.0950
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [I4/m]
_cell_length_a [12.4919]
_cell_length_b [12.4919]
_cell_length_c [3.5582]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [87]
_chemical_formula_structural [Li(Tm2C)4]
_chemical_formula_sum '[Li2 Tm16 C8]'
_cell_volume [555.2511]
_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
[
  Li  Li0  2  0.0000  0.0000  0.5000  1
  Tm  Tm1  8  0.0430  0.6576  0.5000  1
  Tm  Tm2  8  0.1525  0.1880  0.0000  1
  C  C3  8  0.1542  0.3224  0.5000  1
]