data_[Na8Ac4Ga4Te16]
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
  Ga  1.8100  1.3000  0.7600
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [12.7923]
_cell_length_b [13.0595]
_cell_length_c [8.6454]
_cell_angle_alpha [90.0000]
_cell_angle_beta [131.6130]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Na2AcGaTe4]
_chemical_formula_sum '[Na8 Ac4 Ga4 Te16]'
_cell_volume [1079.8285]
_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  0.0000  0.5000  0.0000  1
  Na  Na1  4  0.2500  0.2500  0.0000  1
  Ac  Ac2  4  0.2500  0.2500  0.5000  1
  Ga  Ga3  4  0.0000  0.0000  0.0000  1
  Te  Te4  8  0.0016  0.2558  0.9935  1
  Te  Te5  8  0.2018  0.0057  0.9809  1
]