data_KSn2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.76
_cell_length_b   8.76
_cell_length_c   8.76
_cell_angle_alpha   151.35
_cell_angle_beta   151.35
_cell_angle_gamma   40.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KSn2Br
_chemical_formula_sum   'K1 Sn2 Br1'
_cell_volume   154.41
_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  0.0  0.17  0.11  1.0
  Sn  Sn3  1  0.17  0.0  0.11  1.0
  Br  Br0  1  0.0  0.0  0.21  1.0

data_KSn2Br
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.13
_cell_length_b   6.13
_cell_length_c   8.76
_cell_angle_alpha   90.0
_cell_angle_beta   110.48
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   KSn2Br
_chemical_formula_sum   'K2 Sn4 Br2'
_cell_volume   308.82
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Sn  Sn1  4  0.02  0.08  0.94  1.0
  Br  Br2  2  0.21  0.0  0.21  1.0

K Sn Sn Br