data_[Ho6Pa3Ta3N18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Pa  1.5000  1.8000  1.0400
  Ta  1.5000  1.4500  0.8200
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [5.7595]
_cell_length_b [5.7595]
_cell_length_c [14.6443]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [Ho2PaTaN6]
_chemical_formula_sum '[Ho6 Pa3 Ta3 N18]'
_cell_volume [420.7030]
_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
[
  Ho  Ho0  3  0.0000  0.0000  0.4643  1
  Ho  Ho1  3  0.0000  0.0000  0.9658  1
  Pa  Pa2  3  0.0000  0.0000  0.1902  1
  Ta  Ta3  3  0.0000  0.0000  0.6901  1
  N  N4  9  0.0648  0.3414  0.7535  1
  N  N5  9  0.0738  0.7038  0.2558  1
]