data_[Ac3Ga2Si1Ge6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Ga  1.8100  1.3000  0.7600
  Si  1.9000  1.1000  0.5400
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [6.3751]
_cell_length_b [6.3751]
_cell_length_c [8.6137]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Ac3Ga2SiGe6]
_chemical_formula_sum '[Ac3 Ga2 Si1 Ge6]'
_cell_volume [303.1759]
_cell_formula_units_Z [1]
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  0.3333  0.6667  0.6366  1
  Ac  Ac1  1  0.0000  0.0000  0.0000  1
  Ga  Ga2  2  0.3333  0.6667  0.0255  1
  Si  Si3  1  0.0000  0.0000  0.5000  1
  Ge  Ge4  6  0.1934  0.8066  0.2899  1
]