data_[Np4As8Pd12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Np  1.3600  1.7500  1.0000
  As  2.1800  1.1500  0.6600
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.3062]
_cell_length_b [4.2979]
_cell_length_c [7.5596]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.1116]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NpAs2Pd3]
_chemical_formula_sum '[Np4 As8 Pd12]'
_cell_volume [434.4803]
_cell_formula_units_Z [4]
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  4  0.1423  0.0000  0.0662  1
  As  As1  4  0.0052  0.5000  0.1780  1
  As  As2  4  0.2051  0.0000  0.7578  1
  Pd  Pd3  4  0.0595  0.0000  0.3842  1
  Pd  Pd4  4  0.1080  0.5000  0.6712  1
  Pd  Pd5  4  0.1892  0.5000  0.4086  1
]