data_KMg2Ga
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.13
_cell_length_b   11.13
_cell_length_c   11.13
_cell_angle_alpha   17.77
_cell_angle_beta   17.77
_cell_angle_gamma   17.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KMg2Ga
_chemical_formula_sum   'K1 Mg2 Ga1'
_cell_volume   111.98
_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  K1  1  0.0  0.0  0.0  1.0
  Mg  Mg2  1  0.0  0.0  0.64  1.0
  Mg  Mg3  1  0.0  0.0  0.2  1.0
  Ga  Ga0  1  0.0  0.0  0.42  1.0

data_KMg2Ga
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.95
_cell_length_b   3.44
_cell_length_c   11.13
_cell_angle_alpha   90.0
_cell_angle_beta   100.27
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   KMg2Ga
_chemical_formula_sum   'K2 Mg4 Ga2'
_cell_volume   223.95
_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
  Mg  Mg1  2  0.0  0.0  0.36  1.0
  Mg  Mg2  2  0.0  0.0  0.8  1.0
  Ga  Ga3  2  0.0  0.0  0.58  1.0

K Mg Mg Ga