data_[Zr6Np2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Np  1.3600  1.7500  1.0000
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [5.3077]
_cell_length_b [6.3841]
_cell_length_c [5.5264]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [Zr3Np]
_chemical_formula_sum '[Zr6 Np2]'
_cell_volume [187.2622]
_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
[
  Zr  Zr0  4  0.0000  0.2437  0.1566  1
  Zr  Zr1  2  0.0000  0.5000  0.6604  1
  Np  Np2  2  0.0000  0.0000  0.6526  1
]