data_K2TaGa
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.78
_cell_length_b   6.78
_cell_length_c   2.8
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2TaGa
_chemical_formula_sum   'K2 Ta1 Ga1'
_cell_volume   128.79
_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  K1  1  0.0  0.39  0.4  1.0
  K  K2  1  0.39  0.0  0.4  1.0
  Ta  Ta3  1  0.39  0.39  0.0  1.0
  Ga  Ga0  1  0.0  0.0  0.0  1.0

data_K2TaGa
_symmetry_space_group_name_H-M   Cm
_cell_length_a   9.59
_cell_length_b   9.59
_cell_length_c   2.8
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   K2TaGa
_chemical_formula_sum   'K4 Ta2 Ga2'
_cell_volume   257.58
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  4  0.2  0.2  0.4  1.0
  Ta  Ta1  2  0.39  0.0  -0.0  1.0
  Ga  Ga2  2  0.0  0.0  0.0  1.0

K K Ta Ga
K K Ta Ga 0 3 o o o 0 3 o o + 0 2 o o o 0 2 o o + 0 0 o o + 1 3 o o o 1 3 o o + 1 2 o o o 1 2 o o + 1 1 o o + 2 2 o o + 3 3 o o + 
K2TaGa is Vulcanite-derived structured and crystallizes in the monoclinic Cm space group. K(1) is bonded in a 7-coordinate geometry to two equivalent K(1), three equivalent Ta(1), and two equivalent Ga(1) atoms. Both K(1)-K(1) bond lengths are 2.80 Å. There are a spread of K(1)-Ta(1) bond distances ranging from 2.88-4.28 Å. There is one shorter (2.88 Å) and one longer (3.14 Å) K(1)-Ga(1) bond length. Ta(1) is bonded in a 8-coordinate geometry to six equivalent K(1) and two equivalent Ta(1) atoms. Both Ta(1)-Ta(1) bond lengths are 2.80 Å. Ga(1) is bonded in a 6-coordinate geometry to four equivalent K(1) and two equivalent Ga(1) atoms. Both Ga(1)-Ga(1) bond lengths are 2.80 Å.