data_[Sr2Ac10P12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Ac  1.1000  1.9500  1.2600
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.6965]
_cell_length_b [13.3287]
_cell_length_c [7.6885]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4547]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SrAc5P6]
_chemical_formula_sum '[Sr2 Ac10 P12]'
_cell_volume [743.6866]
_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  2  0.0000  0.0000  0.0000  1
  Ac  Ac1  4  0.0000  0.1652  0.5000  1
  Ac  Ac2  4  0.0000  0.3333  0.0000  1
  Ac  Ac3  2  0.0000  0.5000  0.5000  1
  P  P4  8  0.2465  0.3305  0.7480  1
  P  P5  4  0.2453  0.5000  0.2527  1
]