data_[Np2Cu4Pb4Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Np  1.3600  1.7500  1.0000
  Cu  1.9000  1.3500  0.8200
  Pb  2.3300  1.8000  1.1225
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.8064]
_cell_length_b [3.9572]
_cell_length_c [8.0525]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.7797]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NpCu2(PbSe2)2]
_chemical_formula_sum '[Np2 Cu4 Pb4 Se8]'
_cell_volume [451.7227]
_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  0.0000  0.0000  0.0000  1
  Cu  Cu1  4  0.1710  0.5000  0.9736  1
  Pb  Pb2  4  0.1523  0.0000  0.4956  1
  Se  Se3  4  0.0191  0.5000  0.7555  1
  Se  Se4  4  0.1984  0.0000  0.1626  1
]