data_[Ac4Ag4Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Ag  1.9300  1.6000  1.0867
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.2474]
_cell_length_b [7.9664]
_cell_length_c [7.6714]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.8284]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [AcAgSe2]
_chemical_formula_sum '[Ac4 Ag4 Se8]'
_cell_volume [437.6659]
_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  0.1946  0.5478  0.2987  1
  Ag  Ag1  4  0.4173  0.1620  0.4517  1
  Se  Se2  4  0.0701  0.2312  0.5044  1
  Se  Se3  4  0.4002  0.6099  0.7090  1
]