data_[Np4Nb4Bi4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Np  1.3600  1.7500  1.0000
  Nb  1.6000  1.4500  0.8200
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.7513]
_cell_length_b [3.4554]
_cell_length_c [8.1593]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.2101]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NpNbBi]
_chemical_formula_sum '[Np4 Nb4 Bi4]'
_cell_volume [306.7274]
_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  0.0810  0.0000  0.7247  1
  Nb  Nb1  4  0.1466  0.5000  0.4506  1
  Bi  Bi2  4  0.1608  0.0000  0.1620  1
]