data_[Na4Ti4Cu2Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Ti  1.5400  1.4000  0.8517
  Cu  1.9000  1.3500  0.8200
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.7473]
_cell_length_b [11.9829]
_cell_length_c [8.1240]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.4962]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na2Ti2CuTe6]
_chemical_formula_sum '[Na4 Ti4 Cu2 Te12]'
_cell_volume [629.8133]
_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
[
  Na  Na0  4  0.0000  0.1637  0.0000  1.0
  Ti  Ti1  4  0.0000  0.3314  0.5000  1.0
  Cu  Cu2  2  0.0000  0.0000  0.5000  1.0
  Te  Te3  8  0.2390  0.1685  0.7083  1.0
  Te  Te4  4  0.2386  0.5000  0.7005  1.0
]