data_[Na6Ac4Y2Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Ac  1.1000  1.9500  1.2600
  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 [20.2520]
_cell_length_b [4.6621]
_cell_length_c [9.3162]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.9338]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na3Ac2YTe6]
_chemical_formula_sum '[Na6 Ac4 Y2 Te12]'
_cell_volume [857.2796]
_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  0.1672  0.0000  0.8326  1
  Na  Na1  2  0.0000  0.5000  0.5000  1
  Ac  Ac2  4  0.1641  0.0000  0.3274  1
  Y  Y3  2  0.0000  0.5000  0.0000  1
  Te  Te4  4  0.0025  0.0000  0.7721  1
  Te  Te5  4  0.1588  0.5000  0.0732  1
  Te  Te6  4  0.1662  0.5000  0.5836  1
]