data_KGaSn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.55
_cell_length_b   6.55
_cell_length_c   3.36
_cell_angle_alpha   99.59
_cell_angle_beta   99.59
_cell_angle_gamma   118.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KGaSn2
_chemical_formula_sum   'K1 Ga1 Sn2'
_cell_volume   120.12
_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
  Ga  Ga0  1  0.36  0.0  0.0  1.0
  Sn  Sn2  1  0.14  0.81  0.59  1.0
  Sn  Sn3  1  0.14  0.19  0.59  1.0

data_KGaSn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.36
_cell_length_b   6.47
_cell_length_c   6.55
_cell_angle_alpha   116.56
_cell_angle_beta   99.59
_cell_angle_gamma   100.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KGaSn2
_chemical_formula_sum   'K1 Ga1 Sn2'
_cell_volume   120.12
_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  0.0  0.0  0.0  1.0
  Ga  Ga1  1  0.0  0.0  0.36  1.0
  Sn  Sn2  1  0.4  0.81  0.95  1.0
  Sn  Sn3  1  0.77  0.19  0.32  1.0

K Ga Sn Sn