data_KTaGa2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.93
_cell_length_b   4.78
_cell_length_c   6.89
_cell_angle_alpha   90.0
_cell_angle_beta   91.01
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KTaGa2
_chemical_formula_sum   'K1 Ta1 Ga2'
_cell_volume   96.39
_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  0.08  0.0  0.24  1.0
  Ta  Ta3  1  0.94  0.39  0.18  1.0
  Ga  Ga0  1  0.44  0.0  0.27  1.0
  Ga  Ga1  1  0.55  0.39  0.53  1.0

data_KTaGa2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.93
_cell_length_b   4.78
_cell_length_c   6.89
_cell_angle_alpha   90.0
_cell_angle_beta   91.01
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KTaGa2
_chemical_formula_sum   'K1 Ta1 Ga2'
_cell_volume   96.39
_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  0.08  0.0  0.24  1.0
  Ta  Ta1  1  0.94  0.39  0.18  1.0
  Ga  Ga2  1  0.44  0.0  0.27  1.0
  Ga  Ga3  1  0.55  0.39  0.53  1.0

K Ta Ga Ga