data_[Tm24Te12C9N3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Te  2.1000  1.4000  1.2933
  C  2.5500  0.7000  0.3000
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.5193]
_cell_length_b [7.5193]
_cell_length_c [20.6014]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Tm8Te4C3N]
_chemical_formula_sum '[Tm24 Te12 C9 N3]'
_cell_volume [1008.7596]
_cell_formula_units_Z [3]
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  18  0.0016  0.5008  0.7717  1.0
  Tm  Tm1  6  0.0000  0.0000  0.2292  1.0
  Te  Te2  9  0.0000  0.5000  0.0000  1.0
  Te  Te3  3  0.0000  0.0000  0.0000  1.0
  C  C4  9  0.0000  0.5000  0.5000  1.0
  N  N5  3  -0.0000  -0.0000  0.5000  1.0
]