data_[Ac10Sn2Te16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Sn  1.9600  1.4500  0.8300
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [9.9506]
_cell_length_b [9.9506]
_cell_length_c [10.0343]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [Ac5SnTe8]
_chemical_formula_sum '[Ac10 Sn2 Te16]'
_cell_volume [993.5434]
_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
[
  Ac  Ac0  8  0.1287  0.7487  0.1175  1
  Ac  Ac1  2  0.0000  0.0000  0.5000  1
  Sn  Sn2  2  0.0000  0.5000  0.7500  1
  Te  Te3  8  0.0706  0.8220  0.7939  1
  Te  Te4  8  0.0791  0.6765  0.4424  1
]