data_[Ac8Pa2P10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Pa  1.5000  1.8000  1.0400
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [I4/m]
_cell_length_a [9.6915]
_cell_length_b [9.6915]
_cell_length_c [6.1378]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [87]
_chemical_formula_structural [Ac4PaP5]
_chemical_formula_sum '[Ac8 Pa2 P10]'
_cell_volume [576.4972]
_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
[
  Ac  Ac0  8  0.0965  0.6995  0.5000  1
  Pa  Pa1  2  0.0000  0.0000  0.0000  1
  P  P2  8  0.0923  0.7236  0.0000  1
  P  P3  2  0.0000  0.0000  0.5000  1
]