data_[Ba2Ac4Ga4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ac  1.1000  1.9500  1.2600
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.7288]
_cell_length_b [5.3568]
_cell_length_c [12.4129]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.2307]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ba(AcGa)2]
_chemical_formula_sum '[Ba2 Ac4 Ga4]'
_cell_volume [379.8901]
_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
[
  Ba  Ba0  2  0.2853  0.2500  0.7623  1
  Ac  Ac1  2  0.1956  0.2500  0.1176  1
  Ac  Ac2  2  0.2555  0.7500  0.5034  1
  Ga  Ga3  2  0.2204  0.2500  0.3675  1
  Ga  Ga4  2  0.3315  0.7500  0.9913  1
]