data_[Ac2Cu2Ag2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Cu  1.9000  1.3500  0.8200
  Ag  1.9300  1.6000  1.0867
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.2037]
_cell_length_b [4.2155]
_cell_length_c [9.0449]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.5018]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [AcCuAgSe3]
_chemical_formula_sum '[Ac2 Cu2 Ag2 Se6]'
_cell_volume [312.2117]
_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  0.1537  0.7500  0.2119  1
  Cu  Cu1  2  0.0955  0.7500  0.5889  1
  Ag  Ag2  2  0.3705  0.2500  0.8958  1
  Se  Se3  2  0.1283  0.7500  0.8605  1
  Se  Se4  2  0.1991  0.2500  0.4903  1
  Se  Se5  2  0.4298  0.2500  0.1929  1
]