data_NaZn2Cr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.62
_cell_length_b   4.62
_cell_length_c   4.62
_cell_angle_alpha   119.57
_cell_angle_beta   119.57
_cell_angle_gamma   90.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaZn2Cr
_chemical_formula_sum   'Na1 Zn2 Cr1'
_cell_volume   70.22
_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  Na1  1  0.0  0.0  0.0  1.0
  Zn  Zn2  1  0.33  0.0  0.62  1.0
  Zn  Zn3  1  0.0  0.33  0.62  1.0
  Cr  Cr0  1  0.0  0.0  0.25  1.0

data_NaZn2Cr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.49
_cell_length_b   6.58
_cell_length_c   4.62
_cell_angle_alpha   90.0
_cell_angle_beta   134.63
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NaZn2Cr
_chemical_formula_sum   'Na2 Zn4 Cr2'
_cell_volume   140.45
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  Na0  2  0.0  0.0  0.0  1.0
  Zn  Zn1  4  0.34  0.34  0.38  1.0
  Cr  Cr2  2  0.0  0.0  0.75  1.0

Na Zn Zn Cr
Na Zn Zn Cr 0 3 o o o 1 3 o o o 2 3 o o o 
NaCrZn2 crystallizes in the monoclinic Cm space group. Na(1) is bonded in a single-bond geometry to one Cr(1) and four equivalent Zn(1) atoms. The Na(1)-Cr(1) bond length is 1.14 Å. There are two shorter (2.72 Å) and two longer (2.81 Å) Na(1)-Zn(1) bond lengths. Cr(1) is bonded in a single-bond geometry to one Na(1) and two equivalent Zn(1) atoms. Both Cr(1)-Zn(1) bond lengths are 1.65 Å. Zn(1) is bonded in a 3-coordinate geometry to two equivalent Na(1) and one Cr(1) atom.