data_[Ac12In2Ge4Br6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  In  1.7800  1.5500  0.9400
  Ge  2.0100  1.2500  0.7700
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [20.1538]
_cell_length_b [4.6534]
_cell_length_c [9.2660]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.5684]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ac6InGe2Br3]
_chemical_formula_sum '[Ac12 In2 Ge4 Br6]'
_cell_volume [854.2645]
_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  4  0.0091  0.0000  0.2536  1
  Ac  Ac1  4  0.1657  0.5000  0.1075  1
  Ac  Ac2  4  0.1738  0.5000  0.5699  1
  In  In3  2  0.0000  0.5000  0.0000  1
  Ge  Ge4  4  0.1683  0.0000  0.3376  1
  Br  Br5  4  0.1661  0.0000  0.8334  1
  Br  Br6  2  0.0000  0.5000  0.5000  1
]