data_KAlGa2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.59
_cell_length_b   4.59
_cell_length_c   7.57
_cell_angle_alpha   96.13
_cell_angle_beta   96.13
_cell_angle_gamma   38.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KAlGa2
_chemical_formula_sum   'K1 Al1 Ga2'
_cell_volume   99.55
_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  K3  1  0.91  0.0  0.76  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0
  Ga  Ga1  1  0.58  0.0  0.22  1.0
  Ga  Ga2  1  0.23  0.0  0.3  1.0

data_KAlGa2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.06
_cell_length_b   4.59
_cell_length_c   7.57
_cell_angle_alpha   96.13
_cell_angle_beta   90.0
_cell_angle_gamma   109.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KAlGa2
_chemical_formula_sum   'K1 Al1 Ga2'
_cell_volume   99.55
_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  0.09  0.24  1.0
  Al  Al1  1  0.0  0.0  0.0  1.0
  Ga  Ga2  1  0.0  0.42  0.78  1.0
  Ga  Ga3  1  0.0  0.77  0.7  1.0

K Al Ga Ga