data_[Pr4Pa2P4Se4]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [5.2324]
_cell_length_b [5.2324]
_cell_length_c [14.8768]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Pr2Pa(PSe)2]
_chemical_formula_sum '[Pr4 Pa2 P4 Se4]'
_cell_volume [407.2949]
_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  4  0.0000  0.0000  0.3816  1
  Pa  Pa1  2  0.0000  0.0000  0.0000  1
  P  P2  4  0.0000  0.5000  0.0000  1
  Se  Se3  4  0.0000  0.0000  0.1873  1
]