data_[Tm16Bi6C8]
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 [C2/m]
_cell_length_a [11.3177]
_cell_length_b [11.1960]
_cell_length_c [7.6091]
_cell_angle_alpha [90.0000]
_cell_angle_beta [131.6794]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tm8Bi3C4]
_chemical_formula_sum '[Tm16 Bi6 C8]'
_cell_volume [720.1223]
_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  4  0.0000  0.2230  0.0000  1
  Tm  Tm1  4  0.0000  0.2239  0.5000  1
  Tm  Tm2  4  0.1826  0.0000  0.4248  1
  Tm  Tm3  4  0.2066  0.0000  0.9577  1
  Bi  Bi4  4  0.2500  0.2500  0.5000  1
  Bi  Bi5  2  0.0000  0.5000  0.5000  1
  C  C6  4  0.2500  0.2500  0.0000  1
  C  C7  2  0.0000  0.0000  0.0000  1
  C  C8  2  0.0000  0.0000  0.5000  1
]