data_[Zr3Np1Pd12]
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
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.0581]
_cell_length_b [4.0581]
_cell_length_c [16.3171]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Zr3NpPd12]
_chemical_formula_sum '[Zr3 Np1 Pd12]'
_cell_volume [268.7138]
_cell_formula_units_Z [1]
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  2  0.0000  0.0000  0.2525  1
  Zr  Zr1  1  0.0000  0.0000  0.5000  1
  Np  Np2  1  0.0000  0.0000  0.0000  1
  Pd  Pd3  4  0.0000  0.5000  0.1325  1
  Pd  Pd4  4  0.0000  0.5000  0.3775  1
  Pd  Pd5  2  0.5000  0.5000  0.2554  1
  Pd  Pd6  1  0.5000  0.5000  0.0000  1
  Pd  Pd7  1  0.5000  0.5000  0.5000  1
]