data_CrIn2Ga
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.36
_cell_length_b   5.36
_cell_length_c   5.05
_cell_angle_alpha   98.15
_cell_angle_beta   98.15
_cell_angle_gamma   32.01
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrIn2Ga
_chemical_formula_sum   'Cr1 In2 Ga1'
_cell_volume   76.09
_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
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  In  In2  1  0.21  0.0  0.8  1.0
  In  In3  1  0.36  0.0  0.19  1.0
  Ga  Ga1  1  0.78  0.0  0.49  1.0

data_CrIn2Ga
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.96
_cell_length_b   5.05
_cell_length_c   5.36
_cell_angle_alpha   98.15
_cell_angle_beta   106.01
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrIn2Ga
_chemical_formula_sum   'Cr1 In2 Ga1'
_cell_volume   76.09
_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
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  In  In1  1  0.0  0.19  0.36  1.0
  In  In2  1  0.0  0.8  0.21  1.0
  Ga  Ga3  1  0.0  0.49  0.78  1.0

Cr In In Ga
Cr In In Ga 0 1 o o - 0 2 o o o 0 3 - o o 0 3 - o - 1 2 o o + 1 3 - o o 2 3 o o o 3 3 + - o 
CrIn2Ga crystallizes in the triclinic P1 space group. Cr(1) is bonded in a 1-coordinate geometry to one In(1), one In(2), and two equivalent Ga(1) atoms. The Cr(1)-In(1) bond length is 1.59 Å. The Cr(1)-In(2) bond length is 2.02 Å. There is one shorter (2.65 Å) and one longer (2.90 Å) Cr(1)-Ga(1) bond length. There are two inequivalent In sites. In the first In site, In(1) is bonded in a distorted single-bond geometry to one Cr(1), one In(2), and one Ga(1) atom. The In(1)-In(2) bond length is 1.99 Å. The In(1)-Ga(1) bond length is 2.57 Å. In the second In site, In(2) is bonded in a 3-coordinate geometry to one Cr(1), one In(1), and one Ga(1) atom. The In(2)-Ga(1) bond length is 2.57 Å. Ga(1) is bonded to two equivalent Cr(1), one In(1), one In(2), and two equivalent Ga(1) atoms to form distorted corner-sharing GaCr2In2Ga2 octahedra. The corner-sharing octahedral tilt angles range from 0-49°. Both Ga(1)-Ga(1) bond lengths are 2.96 Å.