data_[Ac2Ag2Bi2Se6]
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
  Bi  2.0200  1.6000  1.0350
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.4793]
_cell_length_b [4.2383]
_cell_length_c [9.4984]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.1303]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [AcAgBiSe3]
_chemical_formula_sum '[Ac2 Ag2 Bi2 Se6]'
_cell_volume [327.9163]
_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  2  0.0304  0.7500  0.7450  1
  Ag  Ag1  2  0.3841  0.2500  0.5003  1
  Bi  Bi2  2  0.4156  0.2500  0.1744  1
  Se  Se3  2  0.1609  0.7500  0.0960  1
  Se  Se4  2  0.1716  0.7500  0.4746  1
  Se  Se5  2  0.3409  0.2500  0.8325  1
]