data_[Ac2Pa2Cr4S16]
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
  Cr  1.6600  1.4000  0.9400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [6.2512]
_cell_length_b [6.2512]
_cell_length_c [14.0416]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [AcPa(CrS4)2]
_chemical_formula_sum '[Ac2 Pa2 Cr4 S16]'
_cell_volume [548.7129]
_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  2  0.0000  0.5000  0.2500  1
  Pa  Pa1  2  0.0000  0.0000  0.0000  1
  Cr  Cr2  2  0.0000  0.0000  0.5000  1
  Cr  Cr3  2  0.0000  0.5000  0.7500  1
  S  S4  8  0.1291  0.7596  0.8370  1
  S  S5  8  0.1603  0.2699  0.4285  1
]