data_[Np1U2Pa1P4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Np  1.3600  1.7500  1.0000
  U  1.3800  1.7500  0.9913
  Pa  1.5000  1.8000  1.0400
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.8054]
_cell_length_b [3.9368]
_cell_length_c [6.8838]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3448]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [NpU2PaP4]
_chemical_formula_sum '[Np1 U2 Pa1 P4]'
_cell_volume [174.0132]
_cell_formula_units_Z [1]
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  1  0.5000  0.5000  0.0000  1
  U  U1  1  0.0000  0.5000  0.5000  1
  U  U2  1  0.5000  0.0000  0.5000  1
  Pa  Pa3  1  0.0000  0.0000  0.0000  1
  P  P4  2  0.2503  0.0000  0.7485  1
  P  P5  2  0.2515  0.5000  0.2525  1
]