data_[Ac12Zn4Te8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Zn  1.6500  1.3500  0.8800
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [9.4591]
_cell_length_b [6.6591]
_cell_length_c [14.0431]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Ac3ZnTe2]
_chemical_formula_sum '[Ac12 Zn4 Te8]'
_cell_volume [884.5667]
_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  4  0.1110  0.2500  0.0762  1
  Ac  Ac1  4  0.1302  0.2500  0.7494  1
  Ac  Ac2  4  0.1386  0.2500  0.4193  1
  Zn  Zn3  4  0.1230  0.7500  0.0923  1
  Te  Te4  4  0.1200  0.7500  0.4187  1
  Te  Te5  4  0.1258  0.7500  0.7407  1
]