data_[Tm12Sb4C2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Sb  2.0500  1.4500  0.8300
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.3259]
_cell_length_b [7.7148]
_cell_length_c [11.2169]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.2023]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Tm6Sb2C]
_chemical_formula_sum '[Tm12 Sb4 C2]'
_cell_volume [463.2130]
_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  0.1328  0.6637  0.9591  1
  Tm  Tm1  4  0.3173  0.2103  0.9557  1
  Tm  Tm2  4  0.3590  0.5242  0.7508  1
  Sb  Sb3  4  0.1803  0.6076  0.2565  1
  C  C4  2  0.5000  0.0000  0.5000  1
]