data_[Np4Cr4B4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Np  1.3600  1.7500  1.0000
  Cr  1.6600  1.4000  0.9400
  B  2.0400  0.8500  0.4100
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [4.1012]
_cell_length_b [4.0156]
_cell_length_c [9.2008]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.1567]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NpCrB]
_chemical_formula_sum '[Np4 Cr4 B4]'
_cell_volume [150.3455]
_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  0.0758  0.5000  0.3786  1
  Cr  Cr1  4  0.2156  0.5000  0.9017  1
  B  B2  4  0.1977  0.0000  0.8589  1
]