data_[Ac12Si6Te2Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Si  1.9000  1.1000  0.5400
  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 [20.0939]
_cell_length_b [4.5847]
_cell_length_c [9.2474]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.7265]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ac6Si3TeSe2]
_chemical_formula_sum '[Ac12 Si6 Te2 Se4]'
_cell_volume [827.5748]
_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  0.0023  0.0000  0.7329  1
  Ac  Ac1  4  0.1639  0.5000  0.5906  1
  Ac  Ac2  4  0.1734  0.5000  0.0776  1
  Si  Si3  4  0.1657  0.0000  0.8315  1
  Si  Si4  2  0.0000  0.5000  0.5000  1
  Te  Te5  2  0.0000  0.5000  0.0000  1
  Se  Se6  4  0.1675  0.0000  0.3343  1
]