data_[Y9Np3Ir24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Np  1.3600  1.7500  1.0000
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [5.3633]
_cell_length_b [5.3633]
_cell_length_c [26.2381]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Y3NpIr8]
_chemical_formula_sum '[Y9 Np3 Ir24]'
_cell_volume [653.6228]
_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
[
  Y  Y0  3  0.0000  0.0000  0.0005  1
  Y  Y1  3  0.0000  0.0000  0.3744  1
  Y  Y2  3  0.0000  0.0000  0.4996  1
  Np  Np3  3  0.0000  0.0000  0.8757  1
  Ir  Ir4  9  0.0019  0.5009  0.4382  1
  Ir  Ir5  9  0.1677  0.3355  0.2701  1
  Ir  Ir6  3  0.0000  0.0000  0.1875  1
  Ir  Ir7  3  0.0000  0.0000  0.6876  1
]