data_[Pa18Ga3N36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pa  1.5000  1.8000  1.0400
  Ga  1.8100  1.3000  0.7600
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [10.0089]
_cell_length_b [10.0089]
_cell_length_c [9.3697]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Pa6GaN12]
_chemical_formula_sum '[Pa18 Ga3 N36]'
_cell_volume [812.8807]
_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
[
  Pa  Pa0  18  0.0507  0.7947  0.6582  1
  Ga  Ga1  3  0.0000  0.0000  0.0000  1
  N  N2  18  0.0356  0.8088  0.4027  1
  N  N3  18  0.0447  0.8324  0.8983  1
]