data_[Na2Ti2Cu2Te6]
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 [P2_1/m]
_cell_length_a [8.3801]
_cell_length_b [3.9034]
_cell_length_c [10.1463]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.4025]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [NaTiCuTe3]
_chemical_formula_sum '[Na2 Ti2 Cu2 Te6]'
_cell_volume [311.0742]
_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  2  0.2632  0.2500  0.2889  1.0
  Ti  Ti1  2  0.2961  0.7500  0.8276  1.0
  Cu  Cu2  2  0.0772  0.2500  0.5970  1.0
  Te  Te3  2  0.0732  0.2500  0.8500  1.0
  Te  Te4  2  0.2602  0.7500  0.5506  1.0
  Te  Te5  2  0.4411  0.7500  0.1267  1.0
]