data_[Ba1Ac5La4]
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
  La  1.1000  1.9500  1.1720
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.5076]
_cell_length_b [4.5076]
_cell_length_c [21.4869]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [BaAc5La4]
_chemical_formula_sum '[Ba1 Ac5 La4]'
_cell_volume [436.5788]
_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
[
  Ba  Ba0  1  0.0000  0.0000  0.0000  1
  La  La1  2  0.0000  0.0000  0.2293  1
  La  La2  2  0.0000  0.0000  0.4040  1
  Ac  Ac3  2  0.5000  0.5000  0.1311  1
  Ac  Ac4  2  0.5000  0.5000  0.3145  1
  Ac  Ac5  1  0.5000  0.5000  0.5000  1
]