data_CrSn2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.13
_cell_length_b   3.13
_cell_length_c   9.55
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrSn2Br
_chemical_formula_sum   'Cr1 Sn2 Br1'
_cell_volume   93.53
_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
  Cr  Cr1  1  0.0  0.0  0.07  1.0
  Sn  Sn2  1  0.56  0.56  0.98  1.0
  Sn  Sn3  1  0.0  0.0  0.1  1.0
  Br  Br0  1  0.56  0.56  0.73  1.0

data_CrSn2Br
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.43
_cell_length_b   4.43
_cell_length_c   9.55
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CrSn2Br
_chemical_formula_sum   'Cr2 Sn4 Br2'
_cell_volume   187.06
_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
  Cr  Cr0  2  0.0  0.0  0.07  1.0
  Sn  Sn1  2  0.0  0.0  0.1  1.0
  Sn  Sn2  2  0.06  0.5  0.98  1.0
  Br  Br3  2  0.06  0.5  0.73  1.0

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