data_[Ce6Zr4Np2P12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  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 [17.1820]
_cell_length_b [3.9322]
_cell_length_c [7.9054]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.6450]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce3Zr2NpP6]
_chemical_formula_sum '[Ce6 Zr4 Np2 P12]'
_cell_volume [519.0453]
_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
[
  Ce  Ce0  4  0.1658  0.0000  0.8322  1
  Ce  Ce1  2  0.0000  0.5000  0.5000  1
  Zr  Zr2  4  0.1686  0.0000  0.3371  1
  Np  Np3  2  0.0000  0.5000  0.0000  1
  P  P4  4  0.0064  0.0000  0.2465  1
  P  P5  4  0.1656  0.5000  0.0977  1
  P  P6  4  0.1709  0.5000  0.5737  1
]