data_[Pr6Np2Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Np  1.3600  1.7500  1.0000
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2/c]
_cell_length_a [7.3275]
_cell_length_b [8.4417]
_cell_length_c [7.3273]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4012]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [13]
_chemical_formula_structural [Pr3NpSe4]
_chemical_formula_sum '[Pr6 Np2 Se8]'
_cell_volume [427.5060]
_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  0.3743  0.7500  1
  Pr  Pr1  2  0.5000  0.1246  0.7500  1
  Pr  Pr2  2  0.5000  0.3742  0.2500  1
  Np  Np3  2  0.0000  0.1229  0.2500  1
  Se  Se4  4  0.2411  0.1208  0.0009  1
  Se  Se5  4  0.2463  0.3710  0.4953  1
]