data_[Hf9Zr3Np12P24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  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 [R-3m]
_cell_length_a [7.6454]
_cell_length_b [7.6454]
_cell_length_c [18.7267]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Hf3Zr(NpP2)4]
_chemical_formula_sum '[Hf9 Zr3 Np12 P24]'
_cell_volume [947.9753]
_cell_formula_units_Z [3]
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
[
  Hf  Hf0  9  0.0000  0.5000  0.5000  1
  Zr  Zr1  3  0.0000  0.0000  0.5000  1
  Np  Np2  9  0.0000  0.5000  0.0000  1
  Np  Np3  3  -0.0000  -0.0000  0.0000  1
  P  P4  18  0.0021  0.5010  0.7542  1
  P  P5  6  0.0000  0.0000  0.2451  1
]