data_[Ca2Ac16La10]
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 [I-4]
_cell_length_a [10.4731]
_cell_length_b [10.4731]
_cell_length_c [11.0258]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [CaAc8La5]
_chemical_formula_sum '[Ca2 Ac16 La10]'
_cell_volume [1209.3621]
_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  0.2500  1
  Ac  Ac1  8  0.0709  0.6739  0.5970  1
  Ac  Ac2  8  0.0870  0.8216  0.2549  1
  La  La3  8  0.1031  0.7983  0.9272  1
  La  La4  2  0.0000  0.0000  0.5000  1
]