data_[Ti4Te2C2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Te  2.1000  1.4000  1.2933
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.8440]
_cell_length_b [3.2355]
_cell_length_c [7.0603]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.3541]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ti2TeC]
_chemical_formula_sum '[Ti4 Te2 C2]'
_cell_volume [128.7319]
_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
[
  Ti  Ti0  2  0.1537  0.2500  0.3611  1
  Ti  Ti1  2  0.2045  0.2500  0.9846  1
  Te  Te2  2  0.3458  0.7500  0.6977  1
  C  C3  2  0.1570  0.7500  0.1700  1
]