data_[Sr16Ca4Ac2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Ca  1.0000  1.8000  1.1400
  Ac  1.1000  1.9500  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.2843]
_cell_length_b [8.0836]
_cell_length_c [10.8193]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.7826]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr8Ca2Ac]
_chemical_formula_sum '[Sr16 Ca4 Ac2]'
_cell_volume [1160.4583]
_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
[
  Sr  Sr0  8  0.1098  0.2486  0.2840  1
  Sr  Sr1  4  0.1347  0.0000  0.6472  1
  Sr  Sr2  4  0.1633  0.5000  0.9501  1
  Ca  Ca3  4  0.1344  0.5000  0.5891  1
  Ac  Ac4  2  0.0000  0.0000  0.0000  1
]