data_[Na4Cu2Te4Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Cu  1.9000  1.3500  0.8200
  Te  2.1000  1.4000  1.2933
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.8370]
_cell_length_b [11.9842]
_cell_length_c [7.6610]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.2507]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na2Cu(TeSe3)2]
_chemical_formula_sum '[Na4 Cu2 Te4 Se12]'
_cell_volume [592.6132]
_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  0.1695  0.0000  1
  Cu  Cu1  2  0.0000  0.0000  0.5000  1
  Te  Te2  4  0.0000  0.3290  0.5000  1
  Se  Se3  8  0.2429  0.8367  0.7213  1
  Se  Se4  4  0.2156  0.0000  0.2999  1
]