data_[Na2Cu2Si2Te6]
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
  Si  1.9000  1.1000  0.5400
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.1380]
_cell_length_b [4.1723]
_cell_length_c [10.4180]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.5442]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [NaCuSiTe3]
_chemical_formula_sum '[Na2 Cu2 Si2 Te6]'
_cell_volume [351.4341]
_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  0.1106  0.7500  0.2831  1
  Si  Si1  2  0.3006  0.7500  0.7107  1
  Cu  Cu2  2  0.4079  0.7500  0.0242  1
  Te  Te3  2  0.1116  0.7500  0.8834  1
  Te  Te4  2  0.2614  0.2500  0.5564  1
  Te  Te5  2  0.4031  0.2500  0.1744  1
]