data_[Ca2Ac4La16]
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/m]
_cell_length_a [19.2744]
_cell_length_b [5.4049]
_cell_length_c [8.4923]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.3800]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ca(AcLa4)2]
_chemical_formula_sum '[Ca2 Ac4 La16]'
_cell_volume [853.0124]
_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
[
  Ca  Ca0  2  0.0000  0.5000  0.0000  1
  La  La1  4  0.0452  0.0000  0.7166  1
  La  La2  4  0.0901  0.5000  0.4597  1
  La  La3  4  0.1397  0.0000  0.1828  1
  La  La4  4  0.1827  0.5000  0.9075  1
  Ac  Ac5  4  0.2266  0.0000  0.6392  1
]