data_[Li3Ho3Pa12N24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ho  1.2300  1.7500  1.0410
  Pa  1.5000  1.8000  1.0400
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [7.0818]
_cell_length_b [7.0818]
_cell_length_c [15.2276]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [LiHo(PaN2)4]
_chemical_formula_sum '[Li3 Ho3 Pa12 N24]'
_cell_volume [661.3738]
_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
[
  Li  Li0  3  0.0000  0.0000  0.9874  1
  Ho  Ho1  3  0.0000  0.0000  0.3762  1
  Pa  Pa2  9  0.0010  0.5005  0.4964  1
  Pa  Pa3  3  0.0000  0.0000  0.5936  1
  N  N4  9  0.1705  0.3409  0.1106  1
  N  N5  9  0.1806  0.8194  0.5809  1
  N  N6  3  0.0000  0.0000  0.2311  1
  N  N7  3  0.0000  0.0000  0.7481  1
]