data_[Na6Cu2Te4S12]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.7407]
_cell_length_b [11.5557]
_cell_length_c [7.0562]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.0581]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na3Cu(TeS3)2]
_chemical_formula_sum '[Na6 Cu2 Te4 S12]'
_cell_volume [519.5134]
_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  0.1726  0.5000  1
  Na  Na1  2  0.0000  0.5000  0.5000  1
  Cu  Cu2  2  0.0000  0.0000  0.0000  1
  Te  Te3  4  0.0000  0.3341  0.0000  1
  S  S4  8  0.2326  0.1609  0.2126  1
  S  S5  4  0.2394  0.5000  0.2290  1
]