data_[Tm8Bi6C2]
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 [Pmn2_1]
_cell_length_a [9.1504]
_cell_length_b [9.1420]
_cell_length_c [6.1317]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Tm4Bi3C]
_chemical_formula_sum '[Tm8 Bi6 C2]'
_cell_volume [512.9386]
_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  0.2095  0.3123  0.0698  1
  Tm  Tm1  2  0.0000  0.1945  0.6259  1
  Tm  Tm2  2  0.0000  0.9437  0.0640  1
  Bi  Bi3  4  0.2040  0.6518  0.0648  1
  Bi  Bi4  2  0.0000  0.8678  0.5584  1
  C  C5  2  0.0000  0.1885  0.9979  1
]