data_[Ac4Pr8Ag4Se20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Pr  1.1300  1.8500  1.0600
  Ag  1.9300  1.6000  1.0867
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.2560]
_cell_length_b [17.7202]
_cell_length_c [13.1220]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [AcPr2AgSe5]
_chemical_formula_sum '[Ac4 Pr8 Ag4 Se20]'
_cell_volume [989.6359]
_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  0.0000  0.1788  0.9932  1
  Pr  Pr1  4  0.0000  0.1163  0.3021  1
  Pr  Pr2  4  0.0000  0.1247  0.6796  1
  Ag  Ag3  4  0.0000  0.4895  0.4832  1
  Se  Se4  4  0.0000  0.0299  0.0944  1
  Se  Se5  4  0.0000  0.2977  0.3221  1
  Se  Se6  4  0.0000  0.3033  0.6629  1
  Se  Se7  4  0.0000  0.3528  0.9990  1
  Se  Se8  4  0.0000  0.4902  0.2875  1
]