data_Zr2InGa
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.15
_cell_length_b   5.06
_cell_length_c   5.24
_cell_angle_alpha   90.0
_cell_angle_beta   93.49
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2InGa
_chemical_formula_sum   'Zr2 In1 Ga1'
_cell_volume   83.43
_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
  Zr  Zr2  1  0.66  0.0  0.97  1.0
  Zr  Zr3  1  0.45  0.53  0.62  1.0
  In  In1  1  0.87  0.53  0.21  1.0
  Ga  Ga0  1  0.1  0.0  0.28  1.0

data_Zr2InGa
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.15
_cell_length_b   5.06
_cell_length_c   5.24
_cell_angle_alpha   90.0
_cell_angle_beta   93.49
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2InGa
_chemical_formula_sum   'Zr2 In1 Ga1'
_cell_volume   83.43
_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
  Zr  Zr0  1  0.45  0.53  0.62  1.0
  Zr  Zr1  1  0.66  0.0  0.97  1.0
  In  In2  1  0.87  0.53  0.21  1.0
  Ga  Ga3  1  0.1  0.0  0.28  1.0

Zr Zr In Ga
Zr2InGa crystallizes in the triclinic P1 space group. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 2-coordinate geometry to two equivalent In(1) and two equivalent Ga(1) atoms. There is one shorter (2.76 Å) and one longer (3.04 Å) Zr(1)-In(1) bond length. There is one shorter (2.10 Å) and one longer (2.50 Å) Zr(1)-Ga(1) bond length. In the second Zr site, Zr(2) is bonded in a 2-coordinate geometry to four equivalent In(1) atoms. There are a spread of Zr(2)-In(1) bond distances ranging from 2.62-3.66 Å. In(1) is bonded in a 10-coordinate geometry to two equivalent Zr(1), four equivalent Zr(2), two equivalent In(1), and two equivalent Ga(1) atoms. Both In(1)-In(1) bond lengths are 3.15 Å. There is one shorter (2.49 Å) and one longer (2.80 Å) In(1)-Ga(1) bond length. Ga(1) is bonded in a 2-coordinate geometry to two equivalent Zr(1) and two equivalent In(1) atoms.