data_[Pa9Tl3Cr12N36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pa  1.5000  1.8000  1.0400
  Tl  1.6200  1.9000  1.3325
  Cr  1.6600  1.4000  0.9400
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [R32]
_cell_length_a [11.3389]
_cell_length_b [11.3389]
_cell_length_c [8.9272]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [155]
_chemical_formula_structural [Pa3Tl(CrN3)4]
_chemical_formula_sum '[Pa9 Tl3 Cr12 N36]'
_cell_volume [994.0010]
_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  9  0.0000  0.5521  0.0000  1
  Tl  Tl1  3  0.0000  0.0000  0.0000  1
  Cr  Cr2  9  0.0000  0.4496  0.5000  1
  Cr  Cr3  3  0.0000  0.0000  0.5000  1
  N  N4  18  0.0330  0.2202  0.1957  1
  N  N5  9  0.0000  0.6062  0.5000  1
  N  N6  9  0.0000  0.8481  0.5000  1
]