data_K2GaSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.68
_cell_length_b   5.9
_cell_length_c   6.79
_cell_angle_alpha   90.0
_cell_angle_beta   99.54
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2GaSn
_chemical_formula_sum   'K2 Ga1 Sn1'
_cell_volume   145.23
_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  0.56  0.95  0.66  1.0
  K  K2  1  0.48  0.0  0.71  1.0
  Ga  Ga0  1  0.08  0.0  1.0  1.0
  Sn  Sn3  1  0.27  0.95  0.36  1.0

data_K2GaSn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.68
_cell_length_b   5.9
_cell_length_c   6.79
_cell_angle_alpha   90.0
_cell_angle_beta   99.54
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2GaSn
_chemical_formula_sum   'K2 Ga1 Sn1'
_cell_volume   145.23
_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  0.48  0.0  0.71  1.0
  K  K1  1  0.56  0.95  0.66  1.0
  Ga  Ga2  1  0.08  0.0  1.0  1.0
  Sn  Sn3  1  0.27  0.95  0.36  1.0

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