data_CaCrGa
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.05
_cell_length_b   3.05
_cell_length_c   7.08
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaCrGa
_chemical_formula_sum   'Ca1 Cr1 Ga1'
_cell_volume   56.99
_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
  Ca  Ca0  1  0.0  0.0  0.06  1.0
  Cr  Cr1  1  0.0  0.76  0.53  1.0
  Ga  Ga2  1  0.52  0.88  0.49  1.0

data_CaCrGa
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.05
_cell_length_b   3.05
_cell_length_c   7.08
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaCrGa
_chemical_formula_sum   'Ca1 Cr1 Ga1'
_cell_volume   56.99
_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
  Ca  Ca0  1  0.0  0.0  0.06  1.0
  Cr  Cr1  1  0.0  0.76  0.53  1.0
  Ga  Ga2  1  0.52  0.88  0.49  1.0

Ca Cr Ga
CaCrGa crystallizes in the triclinic P1 space group. Ca(1) is bonded in a 10-coordinate geometry to six equivalent Ca(1), two equivalent Cr(1), and two equivalent Ga(1) atoms. All Ca(1)-Ca(1) bond lengths are 3.05 Å. There is one shorter (3.41 Å) and one longer (3.82 Å) Ca(1)-Cr(1) bond length. There is one shorter (3.35 Å) and one longer (3.57 Å) Ca(1)-Ga(1) bond length. Cr(1) is bonded in a 3-coordinate geometry to two equivalent Ca(1) and three equivalent Ga(1) atoms. There are a spread of Cr(1)-Ga(1) bond distances ranging from 1.47-2.34 Å. Ga(1) is bonded in a 2-coordinate geometry to two equivalent Ca(1) and three equivalent Cr(1) atoms.