data_[Nd2Np2Ni2Se8]
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
  Ni  1.9100  1.3500  0.7400
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.9088]
_cell_length_b [5.8930]
_cell_length_c [8.1950]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.7074]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [NdNpNiSe4]
_chemical_formula_sum '[Nd2 Np2 Ni2 Se8]'
_cell_volume [319.5603]
_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  0.2615  0.2500  0.0689  1
  Np  Np1  2  0.2592  0.2500  0.5598  1
  Ni  Ni2  2  0.2480  0.7500  0.3190  1
  Se  Se3  4  0.0163  0.5076  0.7473  1
  Se  Se4  2  0.4211  0.7500  0.6053  1
  Se  Se5  2  0.4292  0.7500  0.1154  1
]