data_KSn2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.6
_cell_length_b   3.6
_cell_length_c   11.0
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   114.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KSn2Br
_chemical_formula_sum   'K1 Sn2 Br1'
_cell_volume   128.99
_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
  Sn  Sn2  1  0.94  0.0  0.11  1.0
  Sn  Sn3  1  0.94  0.0  0.88  1.0
  Br  Br0  1  0.0  0.0  0.5  1.0

data_KSn2Br
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.6
_cell_length_b   11.0
_cell_length_c   3.6
_cell_angle_alpha   90.0
_cell_angle_beta   114.87
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   KSn2Br
_chemical_formula_sum   'K1 Sn2 Br1'
_cell_volume   128.99
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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
  Sn  Sn1  2  0.94  0.11  0.0  1.0
  Br  Br2  1  0.0  0.5  0.0  1.0

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