data_Be3Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.21
_cell_length_b   3.21
_cell_length_c   7.13
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   124.1
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be3Br
_chemical_formula_sum   'Be3 Br1'
_cell_volume   60.78
_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  0.5  0.0  0.63  1.0
  Be  Be1  1  0.0  0.0  0.0  1.0
  Be  Be2  1  0.5  0.0  0.49  1.0
  Br  Br3  1  0.0  0.0  0.56  1.0

data_Be3Br
_symmetry_space_group_name_H-M   P2
_cell_length_a   3.01
_cell_length_b   7.13
_cell_length_c   3.21
_cell_angle_alpha   90.0
_cell_angle_beta   117.95
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   3
_chemical_formula_structural   Be3Br
_chemical_formula_sum   'Be3 Br1'
_cell_volume   60.78
_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
  Be  Be1  1  0.0  0.37  0.5  1.0
  Be  Be2  1  0.0  0.51  0.5  1.0
  Br  Br3  1  0.0  0.44  0.0  1.0

Be Be Be Br