data_KGaSn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.34
_cell_length_b   5.16
_cell_length_c   7.2
_cell_angle_alpha   90.0
_cell_angle_beta   98.12
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KGaSn2
_chemical_formula_sum   'K1 Ga1 Sn2'
_cell_volume   122.77
_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  0.12  0.0  0.3  1.0
  Ga  Ga0  1  0.31  0.58  0.06  1.0
  Sn  Sn2  1  0.12  0.58  0.46  1.0
  Sn  Sn3  1  0.27  0.0  0.87  1.0

data_KGaSn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.34
_cell_length_b   5.16
_cell_length_c   7.2
_cell_angle_alpha   90.0
_cell_angle_beta   98.12
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KGaSn2
_chemical_formula_sum   'K1 Ga1 Sn2'
_cell_volume   122.77
_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  0.12  0.0  0.3  1.0
  Ga  Ga1  1  0.31  0.58  0.06  1.0
  Sn  Sn2  1  0.12  0.58  0.46  1.0
  Sn  Sn3  1  0.27  0.0  0.87  1.0

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