data_[Ac8Ga4S2]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.5408]
_cell_length_b [4.5610]
_cell_length_c [9.3262]
_cell_angle_alpha [90.0000]
_cell_angle_beta [126.0489]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ac4Ga2S]
_chemical_formula_sum '[Ac8 Ga4 S2]'
_cell_volume [465.6922]
_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  0.0857  0.0000  0.3798  1
  Ac  Ac1  4  0.1751  0.5000  0.0868  1
  Ga  Ga2  4  0.1122  0.5000  0.6646  1
  S  S3  2  0.0000  0.0000  0.0000  1
]