data_[Np2Cr2Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Np  1.3600  1.7500  1.0000
  Cr  1.6600  1.4000  0.9400
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [13.0564]
_cell_length_b [3.8761]
_cell_length_c [18.1992]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [NpCrSe4]
_chemical_formula_sum '[Np2 Cr2 Se8]'
_cell_volume [921.0356]
_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
[
  Np  Np0  2  0.3589  0.2500  0.5004  1
  Cr  Cr1  2  0.1198  0.7500  0.4991  1
  Se  Se2  2  0.0421  0.2500  0.5704  1
  Se  Se3  2  0.1875  0.2500  0.4177  1
  Se  Se4  2  0.2707  0.7500  0.5879  1
  Se  Se5  2  0.4593  0.7500  0.4158  1
]