data_[Ca4Ac8La24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Ac  1.1000  1.9500  1.2600
  La  1.1000  1.9500  1.1720
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [28.0984]
_cell_length_b [7.9455]
_cell_length_c [6.3448]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.3273]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ca(AcLa3)2]
_chemical_formula_sum '[Ca4 Ac8 La24]'
_cell_volume [1410.4002]
_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
[
  Ca  Ca0  4  0.0000  0.3558  0.7500  1
  La  La1  8  0.0587  0.1402  0.2716  1
  La  La2  8  0.1384  0.4195  0.3674  1
  La  La3  8  0.1391  0.1393  0.8298  1
  Ac  Ac4  8  0.2426  0.1340  0.2484  1
]