data_[Y2Np2Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Np  1.3600  1.7500  1.0000
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.8201]
_cell_length_b [12.3711]
_cell_length_c [6.7055]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.8435]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [YNpCl6]
_chemical_formula_sum '[Y2 Np2 Cl12]'
_cell_volume [544.2567]
_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
[
  Y  Y0  2  0.0000  0.0000  0.0000  1
  Np  Np1  2  0.0000  0.5000  0.5000  1
  Cl  Cl2  8  0.2417  0.1440  0.2441  1
  Cl  Cl3  4  0.2447  0.0000  0.7515  1
]