data_[Pr2Pa2P6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Pa  1.5000  1.8000  1.0400
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [4.1609]
_cell_length_b [6.0058]
_cell_length_c [9.4052]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [PrPaP3]
_chemical_formula_sum '[Pr2 Pa2 P6]'
_cell_volume [235.0337]
_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
[
  Pr  Pr0  2  0.0000  0.5000  0.8752  1
  Pa  Pa1  2  0.0000  0.0000  0.6227  1
  P  P2  4  0.0000  0.1892  0.3434  1
  P  P3  2  0.0000  0.0000  0.9098  1
]