data_KMgGa2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.42
_cell_length_b   10.42
_cell_length_c   10.42
_cell_angle_alpha   18.74
_cell_angle_beta   18.74
_cell_angle_gamma   18.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KMgGa2
_chemical_formula_sum   'K1 Mg1 Ga2'
_cell_volume   101.94
_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  0.54  1.0
  Mg  Mg3  1  0.0  0.0  0.53  1.0
  Ga  Ga0  1  0.0  0.0  0.57  1.0
  Ga  Ga1  1  0.0  0.0  0.1  1.0

data_KMgGa2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.87
_cell_length_b   3.39
_cell_length_c   10.42
_cell_angle_alpha   90.0
_cell_angle_beta   100.83
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   KMgGa2
_chemical_formula_sum   'K2 Mg2 Ga4'
_cell_volume   203.87
_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  0.46  1.0
  Mg  Mg1  2  0.0  0.0  0.47  1.0
  Ga  Ga2  2  0.0  0.0  0.43  1.0
  Ga  Ga3  2  0.0  0.0  0.9  1.0

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