data_[Ac12Si4Se24]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [11.9492]
_cell_length_b [14.8864]
_cell_length_c [7.3164]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ac3SiSe6]
_chemical_formula_sum '[Ac12 Si4 Se24]'
_cell_volume [1301.4497]
_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  8  0.1847  0.1012  0.4756  1
  Ac  Ac1  4  0.0000  0.3939  0.4111  1
  Si  Si2  4  0.0000  0.1945  0.0295  1
  Se  Se3  8  0.1584  0.2581  0.1798  1
  Se  Se4  8  0.1596  0.4795  0.6947  1
  Se  Se5  4  0.0000  0.0424  0.1589  1
  Se  Se6  4  0.0000  0.2142  0.6858  1
]