data_[Np2Fe2Tc4P4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Np  1.3600  1.7500  1.0000
  Fe  1.8300  1.4000  0.8525
  Tc  1.9000  1.3500  0.7417
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [3.9422]
_cell_length_b [7.8546]
_cell_length_c [5.7377]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [NpFe(TcP)2]
_chemical_formula_sum '[Np2 Fe2 Tc4 P4]'
_cell_volume [177.6630]
_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  0.4292  0.4389  1
  Fe  Fe1  2  0.5000  0.2898  0.1639  1
  Tc  Tc2  2  0.0000  0.1825  0.8798  1
  Tc  Tc3  2  0.5000  0.0676  0.5316  1
  P  P4  2  0.0000  0.1013  0.2711  1
  P  P5  2  0.5000  0.3276  0.7603  1
]