data_[Tm20Bi4C4]
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/c]
_cell_length_a [11.6246]
_cell_length_b [8.1007]
_cell_length_c [9.1820]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.9825]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Tm5BiC]
_chemical_formula_sum '[Tm20 Bi4 C4]'
_cell_volume [796.0134]
_cell_formula_units_Z [4]
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  8  0.0900  0.2672  0.9704  1
  Tm  Tm1  8  0.2065  0.1114  0.6404  1
  Tm  Tm2  4  0.0000  0.0620  0.2500  1
  Bi  Bi3  4  0.0000  0.4268  0.2500  1
  C  C4  4  0.0000  0.0000  0.0000  1
]