data_SrSn2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.96
_cell_length_b   6.59
_cell_length_c   4.89
_cell_angle_alpha   90.0
_cell_angle_beta   90.81
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrSn2Br
_chemical_formula_sum   'Sr1 Sn2 Br1'
_cell_volume   127.59
_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
  Sr  Sr3  1  0.95  0.0  0.44  1.0
  Sn  Sn1  1  0.86  0.3  0.62  1.0
  Sn  Sn2  1  0.03  0.3  0.27  1.0
  Br  Br0  1  0.0  0.0  0.0  1.0

data_SrSn2Br
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.96
_cell_length_b   4.89
_cell_length_c   6.59
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrSn2Br
_chemical_formula_sum   'Sr1 Sn2 Br1'
_cell_volume   127.59
_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
  Sr  Sr0  1  0.05  0.56  0.0  1.0
  Sn  Sn1  1  0.14  0.38  0.7  1.0
  Sn  Sn2  1  0.97  0.73  0.7  1.0
  Br  Br3  1  0.0  0.0  0.0  1.0

Sr Sn Sn Br