data_Ni2SnBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.01
_cell_length_b   4.01
_cell_length_c   6.18
_cell_angle_alpha   105.27
_cell_angle_beta   105.27
_cell_angle_gamma   50.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni2SnBr
_chemical_formula_sum   'Ni2 Sn1 Br1'
_cell_volume   73.53
_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
  Ni  Ni1  1  0.49  0.0  0.22  1.0
  Ni  Ni2  1  0.94  0.0  0.69  1.0
  Sn  Sn3  1  0.72  0.0  0.95  1.0
  Br  Br0  1  0.0  0.0  0.0  1.0

data_Ni2SnBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.44
_cell_length_b   4.01
_cell_length_c   6.18
_cell_angle_alpha   105.27
_cell_angle_beta   90.0
_cell_angle_gamma   115.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni2SnBr
_chemical_formula_sum   'Ni2 Sn1 Br1'
_cell_volume   73.53
_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
  Ni  Ni0  1  0.0  0.06  0.31  1.0
  Ni  Ni1  1  0.0  0.51  0.78  1.0
  Sn  Sn2  1  0.0  0.28  0.05  1.0
  Br  Br3  1  0.0  0.0  0.0  1.0

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