data_[Ac12Sb6Te4Se2]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [20.5831]
_cell_length_b [4.7419]
_cell_length_c [9.4339]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.8460]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ac6Sb3Te2Se]
_chemical_formula_sum '[Ac12 Sb6 Te4 Se2]'
_cell_volume [897.7268]
_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  4  0.0030  0.0000  0.7568  1
  Ac  Ac1  4  0.1631  0.5000  0.0759  1
  Ac  Ac2  4  0.1644  0.5000  0.5887  1
  Sb  Sb3  4  0.1690  0.0000  0.8350  1
  Sb  Sb4  2  0.0000  0.5000  0.5000  1
  Te  Te5  4  0.1660  0.0000  0.3331  1
  Se  Se6  2  0.0000  0.5000  0.0000  1
]