data_[Na8Cu4Te12]
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
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.1111]
_cell_length_b [4.0329]
_cell_length_c [24.7594]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Na2CuTe3]
_chemical_formula_sum '[Na8 Cu4 Te12]'
_cell_volume [710.0516]
_cell_formula_units_Z [4]
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  0.1740  0.2500  0.0590  1
  Na  Na1  4  0.2177  0.2500  0.3094  1
  Cu  Cu2  4  0.0129  0.7500  0.4682  1
  Te  Te3  4  0.0855  0.7500  0.2069  1
  Te  Te4  4  0.1067  0.2500  0.6384  1
  Te  Te5  4  0.2339  0.2500  0.4520  1
]