data_KTaGa2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.57
_cell_length_b   5.57
_cell_length_c   5.81
_cell_angle_alpha   101.88
_cell_angle_beta   101.88
_cell_angle_gamma   29.7
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KTaGa2
_chemical_formula_sum   'K1 Ta1 Ga2'
_cell_volume   87.08
_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  K2  1  0.86  0.0  0.12  1.0
  Ta  Ta3  1  0.64  0.0  0.79  1.0
  Ga  Ga0  1  0.52  0.0  0.35  1.0
  Ga  Ga1  1  0.02  0.0  0.25  1.0

data_KTaGa2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.85
_cell_length_b   5.57
_cell_length_c   5.81
_cell_angle_alpha   101.88
_cell_angle_beta   90.0
_cell_angle_gamma   104.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KTaGa2
_chemical_formula_sum   'K1 Ta1 Ga2'
_cell_volume   87.08
_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  K0  1  0.0  0.14  0.88  1.0
  Ta  Ta1  1  0.0  0.36  0.21  1.0
  Ga  Ga2  1  0.0  0.48  0.65  1.0
  Ga  Ga3  1  0.0  0.98  0.75  1.0

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