data_[Np4Al4Tc4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Np  1.3600  1.7500  1.0000
  Al  1.6100  1.2500  0.6750
  Tc  1.9000  1.3500  0.7417
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.0402]
_cell_length_b [3.3026]
_cell_length_c [8.8741]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.0705]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NpAlTc]
_chemical_formula_sum '[Np4 Al4 Tc4]'
_cell_volume [219.8853]
_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  0.2168  0.0000  0.5906  1
  Al  Al1  4  0.1818  0.0000  0.0862  1
  Tc  Tc2  4  0.0469  0.0000  0.7592  1
]