data_[Li4Te4C4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Te  2.1000  1.4000  1.2933
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [8.3052]
_cell_length_b [8.0897]
_cell_length_c [4.7907]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.7494]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [LiTeC]
_chemical_formula_sum '[Li4 Te4 C4]'
_cell_volume [315.1259]
_cell_formula_units_Z [4]
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
[
  Li  Li0  4  0.1873  0.2211  0.2928  1
  Te  Te1  4  0.2151  0.5634  0.1768  1
  C  C2  4  0.0573  0.0626  0.9334  1
]