data_[Ho6Pu4Ta2N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Pu  1.2800  1.7500  0.9675
  Ta  1.5000  1.4500  0.8200
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.8855]
_cell_length_b [10.1812]
_cell_length_c [5.8443]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.5659]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ho3Pu2TaN6]
_chemical_formula_sum '[Ho6 Pu4 Ta2 N12]'
_cell_volume [329.9836]
_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
[
  Ho  Ho0  4  0.0000  0.1658  0.5000  1
  Ho  Ho1  2  0.0000  0.5000  0.5000  1
  Pu  Pu2  4  0.0000  0.3336  0.0000  1
  Ta  Ta3  2  0.0000  0.0000  0.0000  1
  N  N4  8  0.2346  0.1569  0.2329  1
  N  N5  4  0.2356  0.0000  0.7626  1
]