data_KGaSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.26
_cell_length_b   5.26
_cell_length_c   3.52
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KGaSn
_chemical_formula_sum   'K1 Ga1 Sn1'
_cell_volume   84.39
_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  K1  1  0.0  0.0  0.15  1.0
  Ga  Ga0  1  1.0  0.04  0.97  1.0
  Sn  Sn2  1  0.63  0.52  0.91  1.0

data_KGaSn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.52
_cell_length_b   5.26
_cell_length_c   5.26
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KGaSn
_chemical_formula_sum   'K1 Ga1 Sn1'
_cell_volume   84.39
_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  0.15  0.0  0.0  1.0
  Ga  Ga1  1  0.97  1.0  0.04  1.0
  Sn  Sn2  1  0.91  0.63  0.52  1.0

K Ga Sn
K Ga Sn 0 1 - o - 0 2 - - - 1 2 o - o 