data_[Zr10Np2P12]
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
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.5341]
_cell_length_b [11.3393]
_cell_length_c [6.5287]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.5122]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Zr5NpP6]
_chemical_formula_sum '[Zr10 Np2 P12]'
_cell_volume [455.9417]
_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  0.1688  0.5000  1
  Zr  Zr1  4  0.0000  0.3314  0.0000  1
  Zr  Zr2  2  0.0000  0.5000  0.5000  1
  Np  Np3  2  0.0000  0.0000  0.0000  1
  P  P4  8  0.2482  0.3329  0.7470  1
  P  P5  4  0.2477  0.5000  0.2495  1
]