data_NaCrCo4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.84
_cell_length_b   4.84
_cell_length_c   4.84
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaCrCo4
_chemical_formula_sum   'Na1 Cr1 Co4'
_cell_volume   80.24
_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  Na5  1  0.0  0.0  0.0  1.0
  Cr  Cr4  1  0.14  0.14  0.14  1.0
  Co  Co0  1  0.28  0.28  0.57  1.0
  Co  Co1  1  0.28  0.57  0.28  1.0
  Co  Co2  1  0.57  0.28  0.28  1.0
  Co  Co3  1  0.57  0.57  0.57  1.0

data_NaCrCo4
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.84
_cell_length_b   4.84
_cell_length_c   11.86
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   NaCrCo4
_chemical_formula_sum   'Na3 Cr3 Co12'
_cell_volume   240.72
_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
  Cr  Cr1  3  0.0  0.0  0.86  1.0
  Co  Co2  9  0.1  0.2  0.63  1.0
  Co  Co3  3  0.0  0.0  0.43  1.0

Na Cr Co Co Co Co
NaCrCo4 crystallizes in the trigonal R3m space group. Na(1) is bonded in a 4-coordinate geometry to one Cr(1), three equivalent Co(1), and three equivalent Co(2) atoms. The Na(1)-Cr(1) bond length is 1.60 Å. All Na(1)-Co(1) bond lengths are 2.03 Å. All Na(1)-Co(2) bond lengths are 3.02 Å. Cr(1) is bonded in a single-bond geometry to one Na(1) and three equivalent Co(2) atoms. All Cr(1)-Co(2) bond lengths are 3.05 Å. There are two inequivalent Co sites. In the first Co site, Co(2) is bonded in a 15-coordinate geometry to three equivalent Na(1), three equivalent Cr(1), and nine equivalent Co(1) atoms. There are three shorter (2.47 Å) and six longer (2.97 Å) Co(2)-Co(1) bond lengths. In the second Co site, Co(1) is bonded in a 1-coordinate geometry to one Na(1) and three equivalent Co(2) atoms.