data_[Pr1Th1Pa2P4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Th  1.3000  1.8000  1.0800
  Pa  1.5000  1.8000  1.0400
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.0395]
_cell_length_b [4.0647]
_cell_length_c [7.0407]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4980]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [PrTh(PaP2)2]
_chemical_formula_sum '[Pr1 Th1 Pa2 P4]'
_cell_volume [189.9062]
_cell_formula_units_Z [1]
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  1  0.5000  0.5000  0.0000  1
  Th  Th1  1  0.5000  0.0000  0.5000  1
  Pa  Pa2  1  0.0000  0.0000  0.0000  1
  Pa  Pa3  1  0.0000  0.5000  0.5000  1
  P  P4  2  0.2324  0.0000  0.7427  1
  P  P5  2  0.2349  0.5000  0.2462  1
]