data_BeSiBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.86
_cell_length_b   4.86
_cell_length_c   3.43
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   92.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeSiBr2
_chemical_formula_sum   'Be1 Si1 Br2'
_cell_volume   80.86
_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
  Si  Si3  1  0.36  0.0  0.0  1.0
  Br  Br1  1  0.68  0.75  0.72  1.0
  Br  Br2  1  0.68  0.25  0.72  1.0

data_BeSiBr2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.43
_cell_length_b   4.86
_cell_length_c   4.86
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   BeSiBr2
_chemical_formula_sum   'Be1 Si1 Br2'
_cell_volume   80.94
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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
  Si  Si1  1  -0.0  0.0  0.36  1.0
  Br  Br2  2  0.72  0.25  0.68  1.0

Be Si Br Br
Be Si Br Br 0 2 - - - 0 1 o o o 0 3 - o - 1 3 o o - 1 2 o - - 2 3 o + o 2 3 o o o 