data_NaPaCr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.49
_cell_length_b   4.49
_cell_length_c   4.49
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaPaCr2
_chemical_formula_sum   'Na1 Pa1 Cr2'
_cell_volume   64.16
_cell_formula_units_Z   1
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
  Na  Na2  1  0.0  0.0  0.0  1.0
  Pa  Pa3  1  0.18  0.18  0.18  1.0
  Cr  Cr0  1  0.59  0.59  0.59  1.0
  Cr  Cr1  1  0.77  0.77  0.77  1.0

data_NaPaCr2
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.49
_cell_length_b   4.49
_cell_length_c   11.01
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   NaPaCr2
_chemical_formula_sum   'Na3 Pa3 Cr6'
_cell_volume   192.48
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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
  Na  Na0  3  0.0  0.0  0.0  1.0
  Pa  Pa1  3  0.0  0.0  0.82  1.0
  Cr  Cr2  3  0.0  0.0  0.23  1.0
  Cr  Cr3  3  0.0  0.0  0.41  1.0

Na Pa Cr Cr
NaPaCr2 crystallizes in the trigonal R3m space group. Na(1) is bonded in a 1-coordinate geometry to one Pa(1), three equivalent Cr(1), and four equivalent Cr(2) atoms. The Na(1)-Pa(1) bond length is 1.95 Å. All Na(1)-Cr(1) bond lengths are 2.73 Å. There is one shorter (2.57 Å) and three longer (2.82 Å) Na(1)-Cr(2) bond lengths. Pa(1) is bonded in a distorted single-bond geometry to one Na(1), three equivalent Cr(1), and three equivalent Cr(2) atoms. All Pa(1)-Cr(1) bond lengths are 2.73 Å. All Pa(1)-Cr(2) bond lengths are 2.73 Å. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a 7-coordinate geometry to three equivalent Na(1), three equivalent Pa(1), and one Cr(2) atom. The Cr(1)-Cr(2) bond length is 1.95 Å. In the second Cr site, Cr(2) is bonded in a 8-coordinate geometry to four equivalent Na(1), three equivalent Pa(1), and one Cr(1) atom.