data_NaZn2Ga
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.77
_cell_length_b   4.77
_cell_length_c   4.77
_cell_angle_alpha   123.61
_cell_angle_beta   122.06
_cell_angle_gamma   85.16
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaZn2Ga
_chemical_formula_sum   'Na1 Zn2 Ga1'
_cell_volume   73.28
_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  0.0  0.31  0.73  1.0
  Zn  Zn3  1  0.25  0.0  0.79  1.0
  Ga  Ga0  1  0.0  0.0  0.51  1.0

data_NaZn2Ga
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.51
_cell_length_b   4.62
_cell_length_c   4.77
_cell_angle_alpha   118.97
_cell_angle_beta   118.19
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaZn2Ga
_chemical_formula_sum   'Na1 Zn2 Ga1'
_cell_volume   73.28
_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  Na0  1  0.0  0.0  0.0  1.0
  Zn  Zn1  1  0.27  0.59  0.59  1.0
  Zn  Zn2  1  0.47  0.21  0.47  1.0
  Ga  Ga3  1  0.49  0.49  0.49  1.0

Na Zn Zn Ga
Na Zn Zn Ga 0 1 o o - 0 3 o o - 0 3 o o o 0 2 o o - 1 3 o o o 2 3 o o o 
NaZn2Ga crystallizes in the triclinic P1 space group. Na(1) is bonded in a 7-coordinate geometry to two equivalent Zn(2), three equivalent Zn(1), and two equivalent Ga(1) atoms. There is one shorter (1.95 Å) and one longer (3.14 Å) Na(1)-Zn(2) bond length. There are a spread of Na(1)-Zn(1) bond distances ranging from 2.47-2.92 Å. There is one shorter (2.32 Å) and one longer (2.46 Å) Na(1)-Ga(1) bond length. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a distorted single-bond geometry to three equivalent Na(1) and one Ga(1) atom. The Zn(1)-Ga(1) bond length is 1.25 Å. In the second Zn site, Zn(2) is bonded in a distorted L-shaped geometry to two equivalent Na(1) and one Ga(1) atom. The Zn(2)-Ga(1) bond length is 1.23 Å. Ga(1) is bonded in a 3-coordinate geometry to two equivalent Na(1), one Zn(1), and one Zn(2) atom.