data_[Ac8Ga8Te20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [Ima2]
_cell_length_a [20.9418]
_cell_length_b [8.1401]
_cell_length_c [7.6927]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [46]
_chemical_formula_structural [Ac2Ga2Te5]
_chemical_formula_sum '[Ac8 Ga8 Te20]'
_cell_volume [1311.3672]
_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
[
  Ac  Ac0  8  0.1003  0.5435  0.9873  1
  Ga  Ga1  4  0.0000  0.0000  0.0139  1
  Ga  Ga2  4  0.2500  0.0804  0.9511  1
  Te  Te3  8  0.0169  0.2372  0.7525  1
  Te  Te4  8  0.1443  0.5775  0.5676  1
  Te  Te5  4  0.2500  0.1007  0.5843  1
]