data_Co2SnBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.26
_cell_length_b   3.65
_cell_length_c   6.8
_cell_angle_alpha   90.0
_cell_angle_beta   90.68
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co2SnBr
_chemical_formula_sum   'Co2 Sn1 Br1'
_cell_volume   80.89
_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
  Co  Co1  1  0.26  0.83  0.65  1.0
  Co  Co2  1  0.11  0.0  0.96  1.0
  Sn  Sn3  1  0.69  0.83  0.81  1.0
  Br  Br0  1  0.71  0.0  0.77  1.0

data_Co2SnBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.26
_cell_length_b   3.65
_cell_length_c   6.8
_cell_angle_alpha   90.0
_cell_angle_beta   90.68
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co2SnBr
_chemical_formula_sum   'Co2 Sn1 Br1'
_cell_volume   80.89
_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
  Co  Co0  1  0.11  0.0  0.96  1.0
  Co  Co1  1  0.26  0.83  0.65  1.0
  Sn  Sn2  1  0.69  0.83  0.81  1.0
  Br  Br3  1  0.71  0.0  0.77  1.0

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