data_[Tm24Bi3C12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Bi  2.0200  1.6000  1.0350
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.1917]
_cell_length_b [7.1917]
_cell_length_c [20.7884]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Tm8BiC4]
_chemical_formula_sum '[Tm24 Bi3 C12]'
_cell_volume [931.1520]
_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  0.0021  0.5010  0.7281  1
  Tm  Tm1  6  0.0000  0.0000  0.2693  1
  Bi  Bi2  3  -0.0000  -0.0000  0.5000  1
  C  C3  9  0.0000  0.5000  0.0000  1
  C  C4  3  0.0000  0.0000  0.0000  1
]