data_[Ac28Sb20Te4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Sb  2.0500  1.4500  0.8300
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.7136]
_cell_length_b [4.7339]
_cell_length_c [28.0720]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.3922]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ac7Sb5Te]
_chemical_formula_sum '[Ac28 Sb20 Te4]'
_cell_volume [2088.1322]
_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  0.0393  0.5000  0.7511  1
  Ac  Ac1  4  0.0852  0.0000  0.8953  1
  Ac  Ac2  4  0.0881  0.0000  0.6054  1
  Ac  Ac3  4  0.1379  0.5000  0.4651  1
  Ac  Ac4  4  0.1392  0.5000  0.0349  1
  Ac  Ac5  4  0.1801  0.0000  0.3223  1
  Ac  Ac6  4  0.1827  0.0000  0.1783  1
  Sb  Sb7  4  0.0457  0.5000  0.3548  1
  Sb  Sb8  4  0.0490  0.5000  0.1451  1
  Sb  Sb9  4  0.2260  0.5000  0.9244  1
  Sb  Sb10  4  0.2274  0.5000  0.5750  1
  Sb  Sb11  2  0.0000  0.0000  0.0000  1
  Sb  Sb12  2  0.0000  0.0000  0.5000  1
  Te  Te13  4  0.2001  0.0000  0.7472  1
]