data_[Tm10Bi10C2]
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 [12.8151]
_cell_length_b [5.9921]
_cell_length_c [9.1081]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.0790]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tm5Bi5C]
_chemical_formula_sum '[Tm10 Bi10 C2]'
_cell_volume [628.1984]
_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  0.1456  0.0000  0.8996  1
  Tm  Tm1  4  0.1495  0.0000  0.2746  1
  Tm  Tm2  2  0.0000  0.5000  0.0000  1
  Bi  Bi3  4  0.1143  0.5000  0.7617  1
  Bi  Bi4  4  0.2143  0.5000  0.3363  1
  Bi  Bi5  2  0.0000  0.0000  0.5000  1
  C  C6  2  0.0000  0.0000  0.0000  1
]