data_[Pr4Pa6Se16]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.0068]
_cell_length_b [8.2646]
_cell_length_c [6.8925]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.4654]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr2Pa3Se8]
_chemical_formula_sum '[Pr4 Pa6 Se16]'
_cell_volume [815.4371]
_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  0.2424  0.5000  0.6694  1
  Pa  Pa1  4  0.0000  0.2442  0.0000  1
  Pa  Pa2  2  0.0000  0.0000  0.5000  1
  Se  Se3  8  0.1224  0.2393  0.4135  1
  Se  Se4  4  0.1092  0.5000  0.9149  1
  Se  Se5  4  0.1234  0.0000  0.9136  1
]