data_[Ac8Ga4Br10]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [25.3364]
_cell_length_b [4.5149]
_cell_length_c [8.8994]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.8886]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ac4Ga2Br5]
_chemical_formula_sum '[Ac8 Ga4 Br10]'
_cell_volume [1002.8877]
_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  0.0063  0.0000  0.2783  1
  Ac  Ac1  4  0.1595  0.5000  0.4589  1
  Ga  Ga2  4  0.0493  0.5000  0.5315  1
  Br  Br3  4  0.1326  0.0000  0.2160  1
  Br  Br4  4  0.2211  0.0000  0.6644  1
  Br  Br5  2  0.0000  0.5000  0.0000  1
]