data_KCr2Ga
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.02
_cell_length_b   3.02
_cell_length_c   8.23
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KCr2Ga
_chemical_formula_sum   'K1 Cr2 Ga1'
_cell_volume   75.06
_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
  K  K3  1  0.0  0.0  0.15  1.0
  Cr  Cr0  1  0.51  0.51  0.86  1.0
  Cr  Cr1  1  0.0  0.0  0.86  1.0
  Ga  Ga2  1  0.51  0.51  0.49  1.0

data_KCr2Ga
_symmetry_space_group_name_H-M   P4mm
_cell_length_a   3.02
_cell_length_b   3.02
_cell_length_c   8.23
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   99
_chemical_formula_structural   KCr2Ga
_chemical_formula_sum   'K1 Cr2 Ga1'
_cell_volume   75.06
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x, z'
  3  '-x, -y, z'
  4  'y, -x, z'
  5  '-x, y, z'
  6  'y, x, z'
  7  'x, -y, z'
  8  '-y, -x, 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
  K  K0  1  0.0  0.0  0.15  1.0
  Cr  Cr1  1  0.0  0.0  0.86  1.0
  Cr  Cr2  1  0.5  0.5  0.86  1.0
  Ga  Ga3  1  0.5  0.5  0.49  1.0

K Cr Cr Ga
KCr2Ga crystallizes in the monoclinic Cm space group. K(1) is bonded in a single-bond geometry to one Cr(2) and four equivalent Ga(1) atoms. The K(1)-Cr(2) bond length is 2.32 Å. There are a spread of K(1)-Ga(1) bond distances ranging from 3.51-3.56 Å. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a 5-coordinate geometry to four equivalent Cr(2) and one Ga(1) atom. There are a spread of Cr(1)-Cr(2) bond distances ranging from 2.09-2.18 Å. The Cr(1)-Ga(1) bond length is 3.02 Å. In the second Cr site, Cr(2) is bonded to one K(1) and four equivalent Cr(1) atoms to form a mixture of distorted edge and corner-sharing CrKCr4 square pyramids. Ga(1) is bonded in a 9-coordinate geometry to four equivalent K(1), one Cr(1), and four equivalent Ga(1) atoms. All Ga(1)-Ga(1) bond lengths are 3.02 Å.