data_[Te24C40]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Te  2.1000  1.4000  1.2933
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [Fmm2]
_cell_length_a [5.8344]
_cell_length_b [17.9852]
_cell_length_c [15.0323]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [42]
_chemical_formula_structural [Te3C5]
_chemical_formula_sum '[Te24 C40]'
_cell_volume [1577.3909]
_cell_formula_units_Z [8]
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
[
  Te  Te0  8  0.0000  0.0872  0.4397  1
  Te  Te1  8  0.0000  0.1810  0.8198  1
  Te  Te2  4  0.0000  0.0000  0.0542  1
  Te  Te3  4  0.0000  0.0000  0.8252  1
  C  C4  8  0.0000  0.0351  0.5843  1
  C  C5  8  0.0000  0.0352  0.2951  1
  C  C6  8  0.0000  0.1244  0.0240  1
  C  C7  8  0.0000  0.1599  0.9524  1
  C  C8  8  0.2360  0.0000  0.9387  1
]