data_K2TaGa
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.77
_cell_length_b   6.77
_cell_length_c   3.0
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   128.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2TaGa
_chemical_formula_sum   'K2 Ta1 Ga1'
_cell_volume   107.85
_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  0.48  0.05  0.5  1.0
  K  K2  1  0.48  0.95  0.5  1.0
  Ta  Ta3  1  0.95  0.0  0.0  1.0
  Ga  Ga0  1  0.0  0.0  0.0  1.0

data_K2TaGa
_symmetry_space_group_name_H-M   Pm
_cell_length_a   5.9
_cell_length_b   3.0
_cell_length_c   6.77
_cell_angle_alpha   90.0
_cell_angle_beta   115.83
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   K2TaGa
_chemical_formula_sum   'K2 Ta1 Ga1'
_cell_volume   107.85
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  K0  1  0.05  0.5  0.57  1.0
  K  K1  1  0.95  0.5  0.48  1.0
  Ta  Ta2  1  0.0  0.0  0.05  1.0
  Ga  Ga3  1  0.0  0.0  0.0  1.0

K K Ta Ga
K K Ta Ga 0 1 o - o 2 3 + o o 