data_[Pa4P4Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pa  1.5000  1.8000  1.0400
  P  2.1900  1.0000  0.5500
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.1357]
_cell_length_b [8.4707]
_cell_length_c [7.4302]
_cell_angle_alpha [90.0000]
_cell_angle_beta [127.2898]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PaPCl3]
_chemical_formula_sum '[Pa4 P4 Cl12]'
_cell_volume [557.5953]
_cell_formula_units_Z [4]
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
[
  Pa  Pa0  4  0.2367  0.5000  0.1042  1
  P  P1  4  0.0517  0.0000  0.4218  1
  Cl  Cl2  8  0.2119  0.1879  0.1632  1
  Cl  Cl3  4  0.0578  0.5000  0.2651  1
]