data_[Nd8Np2Se14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Np  1.3600  1.7500  1.0000
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [13.8158]
_cell_length_b [4.1059]
_cell_length_c [12.4788]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.8765]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Nd4NpSe7]
_chemical_formula_sum '[Nd8 Np2 Se14]'
_cell_volume [684.1495]
_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
[
  Nd  Nd0  2  0.1156  0.0000  0.4255  1
  Nd  Nd1  2  0.1980  0.5000  0.8082  1
  Nd  Nd2  2  0.3022  0.0000  0.1920  1
  Nd  Nd3  2  0.4997  0.5000  0.9990  1
  Np  Np4  2  0.3838  0.5000  0.5757  1
  Se  Se5  2  0.0387  0.0000  0.7807  1
  Se  Se6  2  0.1606  0.5000  0.0497  1
  Se  Se7  2  0.2395  0.5000  0.3503  1
  Se  Se8  2  0.2654  0.0000  0.6508  1
  Se  Se9  2  0.3391  0.0000  0.9499  1
  Se  Se10  2  0.4606  0.5000  0.2165  1
  Se  Se11  2  0.4968  0.0000  0.5016  1
]