data_KTiGa2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.11
_cell_length_b   5.11
_cell_length_c   5.11
_cell_angle_alpha   124.01
_cell_angle_beta   124.01
_cell_angle_gamma   83.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KTiGa2
_chemical_formula_sum   'K1 Ti1 Ga2'
_cell_volume   87.7
_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  0.0  1.0
  Ti  Ti3  1  0.0  0.0  0.82  1.0
  Ga  Ga0  1  0.0  0.4  0.91  1.0
  Ga  Ga1  1  0.4  0.0  0.91  1.0

data_KTiGa2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.78
_cell_length_b   6.78
_cell_length_c   5.11
_cell_angle_alpha   90.0
_cell_angle_beta   131.59
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   KTiGa2
_chemical_formula_sum   'K2 Ti2 Ga4'
_cell_volume   175.4
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Ti  Ti1  2  0.0  0.0  0.82  1.0
  Ga  Ga2  4  0.3  0.3  0.51  1.0

K Ti Ga Ga
K Ti Ga Ga 0 1 o o - 1 2 o o o 1 3 o o o 