data_BeSn2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.46
_cell_length_b   7.46
_cell_length_c   7.46
_cell_angle_alpha   30.99
_cell_angle_beta   30.99
_cell_angle_gamma   30.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeSn2Br
_chemical_formula_sum   'Be1 Sn2 Br1'
_cell_volume   97.57
_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
  Be  Be0  1  0.0  0.0  0.0  1.0
  Sn  Sn2  1  0.0  0.0  0.37  1.0
  Sn  Sn3  1  0.0  0.0  0.91  1.0
  Br  Br1  1  0.0  0.0  0.64  1.0

data_BeSn2Br
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.9
_cell_length_b   3.98
_cell_length_c   7.46
_cell_angle_alpha   90.0
_cell_angle_beta   107.97
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BeSn2Br
_chemical_formula_sum   'Be2 Sn4 Br2'
_cell_volume   195.13
_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
  Be  Be0  2  0.0  0.0  0.0  1.0
  Sn  Sn1  2  -0.0  0.0  0.63  1.0
  Sn  Sn2  2  -0.0  0.0  0.09  1.0
  Br  Br3  2  -0.0  0.0  0.36  1.0

Be Sn Sn Br