data_Zn3InAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.96
_cell_length_b   4.96
_cell_length_c   4.96
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn3InAs
_chemical_formula_sum   'Zn3 In1 As1'
_cell_volume   122.35
_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
  Zn  Zn1  1  0.0  0.48  0.0  1.0
  Zn  Zn2  1  0.0  0.0  0.48  1.0
  Zn  Zn3  1  0.48  0.0  0.0  1.0
  In  In4  1  0.48  0.48  0.48  1.0
  As  As0  1  0.0  0.0  0.0  1.0

data_Zn3InAs
_symmetry_space_group_name_H-M   R3m
_cell_length_a   7.02
_cell_length_b   7.02
_cell_length_c   8.6
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Zn3InAs
_chemical_formula_sum   'Zn9 In3 As3'
_cell_volume   367.05
_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
  Zn  Zn0  9  0.17  0.35  0.83  1.0
  In  In1  3  0.0  0.0  0.48  1.0
  As  As2  3  0.0  0.0  0.0  1.0

Zn Zn Zn In As
Zn Zn Zn In As 0 4 o o o 0 4 o + o 0 3 o o o 0 3 o o - 0 3 - o o 0 3 - o - 1 4 o o o 1 4 o o + 1 3 o o o 1 3 o - o 1 3 - o o 1 3 - - o 2 4 o o o 2 4 + o o 2 3 o o o 2 3 o o - 2 3 o - o 2 3 o - - 3 4 o o o 
Zn3InAs is (Cubic) Perovskite structured and crystallizes in the trigonal R3m space group. Zn(1) is bonded in a linear geometry to one In(1) and two equivalent As(1) atoms. The Zn(1)-In(1) bond length is 3.39 Å. There is one shorter (2.39 Å) and one longer (2.57 Å) Zn(1)-As(1) bond length. In(1) is bonded in a 3-coordinate geometry to three equivalent Zn(1) atoms. As(1) is bonded to six equivalent Zn(1) atoms to form corner-sharing AsZn6 octahedra. The corner-sharing octahedra are not tilted.