data_Be4Br5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.03
_cell_length_b   8.03
_cell_length_c   6.59
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be4Br5
_chemical_formula_sum   'Be8 Br10'
_cell_volume   367.63
_cell_formula_units_Z   2
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  0.29  1.0
  Be  Be1  1  0.0  0.0  0.0  1.0
  Be  Be2  1  0.96  0.4  0.94  1.0
  Be  Be3  1  0.11  0.0  0.94  1.0
  Be  Be4  1  0.95  0.56  0.94  1.0
  Be  Be5  1  0.05  0.56  0.65  1.0
  Be  Be6  1  0.92  0.0  0.65  1.0
  Be  Be7  1  0.04  0.4  0.65  1.0
  Br  Br8  1  0.09  0.35  0.94  1.0
  Br  Br9  1  0.85  0.0  0.94  1.0
  Br  Br10  1  0.08  0.6  0.94  1.0
  Br  Br11  1  0.92  0.6  0.65  1.0
  Br  Br12  1  0.18  0.0  0.65  1.0
  Br  Br13  1  0.91  0.35  0.65  1.0
  Br  Br14  1  0.0  0.64  0.29  1.0
  Br  Br15  1  0.01  0.32  0.0  1.0
  Br  Br16  1  0.01  0.32  0.29  1.0
  Br  Br17  1  0.0  0.64  0.0  1.0

data_Be4Br5
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.59
_cell_length_b   8.03
_cell_length_c   8.03
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be4Br5
_chemical_formula_sum   'Be8 Br10'
_cell_volume   367.63
_cell_formula_units_Z   2
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
  Be  Be1  1  0.29  0.0  0.0  1.0
  Be  Be2  1  0.65  0.04  0.4  1.0
  Be  Be3  1  0.65  0.05  0.56  1.0
  Be  Be4  1  0.65  0.92  0.0  1.0
  Be  Be5  1  0.94  0.11  0.0  1.0
  Be  Be6  1  0.94  0.95  0.56  1.0
  Be  Be7  1  0.94  0.96  0.4  1.0
  Br  Br8  1  0.0  0.0  0.64  1.0
  Br  Br9  1  0.0  0.01  0.32  1.0
  Br  Br10  1  0.29  0.0  0.64  1.0
  Br  Br11  1  0.29  0.01  0.32  1.0
  Br  Br12  1  0.65  0.18  0.0  1.0
  Br  Br13  1  0.65  0.91  0.35  1.0
  Br  Br14  1  0.65  0.92  0.6  1.0
  Br  Br15  1  0.94  0.08  0.6  1.0
  Br  Br16  1  0.94  0.09  0.35  1.0
  Br  Br17  1  0.94  0.85  0.0  1.0

Be Be Be Be Be Be Be Be Br Br Br Br Br Br Br Br Br Br