data_MnSn2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.28
_cell_length_b   7.28
_cell_length_c   7.28
_cell_angle_alpha   154.23
_cell_angle_beta   142.49
_cell_angle_gamma   46.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnSn2Br
_chemical_formula_sum   'Mn1 Sn2 Br1'
_cell_volume   101.98
_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
  Mn  Mn1  1  0.0  0.0  0.0  1.0
  Sn  Sn2  1  0.62  0.0  0.58  1.0
  Sn  Sn3  1  0.0  0.34  0.12  1.0
  Br  Br0  1  0.0  0.0  0.7  1.0

data_MnSn2Br
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.25
_cell_length_b   4.68
_cell_length_c   7.28
_cell_angle_alpha   108.76
_cell_angle_beta   102.88
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnSn2Br
_chemical_formula_sum   'Mn1 Sn2 Br1'
_cell_volume   101.98
_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
  Mn  Mn0  1  0.0  0.0  0.0  1.0
  Sn  Sn1  1  0.04  0.42  0.04  1.0
  Sn  Sn2  1  0.88  0.22  0.22  1.0
  Br  Br3  1  0.3  0.3  0.3  1.0

Mn Sn Sn Br