data_KTaGa2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.42
_cell_length_b   6.42
_cell_length_c   6.42
_cell_angle_alpha   154.51
_cell_angle_beta   130.37
_cell_angle_gamma   56.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KTaGa2
_chemical_formula_sum   'K1 Ta1 Ga2'
_cell_volume   86.13
_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  0.0  0.0  0.7  1.0
  Ta  Ta3  1  0.42  0.0  0.39  1.0
  Ga  Ga0  1  0.0  0.0  0.07  1.0
  Ga  Ga1  1  0.0  0.69  0.14  1.0

data_KTaGa2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.83
_cell_length_b   5.39
_cell_length_c   6.42
_cell_angle_alpha   114.82
_cell_angle_beta   102.74
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KTaGa2
_chemical_formula_sum   'K1 Ta1 Ga2'
_cell_volume   86.13
_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  0.3  0.3  0.3  1.0
  Ta  Ta1  1  0.02  0.61  0.02  1.0
  Ga  Ga2  1  0.86  0.56  0.56  1.0
  Ga  Ga3  1  0.93  0.93  0.93  1.0

K Ta Ga Ga