data_[Ac2Tl2Ge2Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Tl  1.6200  1.9000  1.3325
  Ge  2.0100  1.2500  0.7700
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.1591]
_cell_length_b [7.0520]
_cell_length_c [9.0894]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.5682]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [AcTlGeSe4]
_chemical_formula_sum '[Ac2 Tl2 Ge2 Se8]'
_cell_volume [439.8356]
_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  0.2399  0.2500  0.5590  1
  Tl  Tl1  2  0.2576  0.2500  0.0669  1
  Ge  Ge2  2  0.2165  0.7500  0.3072  1
  Se  Se3  4  0.0028  0.5117  0.7340  1
  Se  Se4  2  0.3965  0.7500  0.5746  1
  Se  Se5  2  0.4142  0.7500  0.1401  1
]