data_[Ba6Na2Y4Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Na  0.9300  1.8000  1.1600
  Y  1.2200  1.8000  1.0400
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.1181]
_cell_length_b [14.0575]
_cell_length_c [8.2056]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.1929]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba3Na(YTe3)2]
_chemical_formula_sum '[Ba6 Na2 Y4 Te12]'
_cell_volume [884.3729]
_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
[
  Ba  Ba0  4  0.0000  0.1621  0.5000  1.0
  Ba  Ba1  2  0.0000  0.5000  0.5000  1.0
  Na  Na2  2  0.0000  0.0000  0.0000  1.0
  Y  Y3  4  0.0000  0.3322  0.0000  1.0
  Te  Te4  8  0.2456  0.1722  0.2191  1.0
  Te  Te5  4  0.2275  0.5000  0.2138  1.0
]