data_[Ac4Y4Ga4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Y  1.2200  1.8000  1.0400
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.9827]
_cell_length_b [3.7041]
_cell_length_c [7.4118]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.6616]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [AcYGa]
_chemical_formula_sum '[Ac4 Y4 Ga4]'
_cell_volume [369.6317]
_cell_formula_units_Z [4]
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  0.1365  0.0000  0.5701  1
  Y  Y1  4  0.1465  0.0000  0.0756  1
  Ga  Ga2  4  0.0016  0.5000  0.8012  1
]