data_Be2SbBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.03
_cell_length_b   5.03
_cell_length_c   3.35
_cell_angle_alpha   106.35
_cell_angle_beta   106.35
_cell_angle_gamma   89.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2SbBr
_chemical_formula_sum   'Be2 Sb1 Br1'
_cell_volume   77.91
_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  0.79  0.77  0.0  1.0
  Be  Be1  1  0.79  0.23  0.0  1.0
  Sb  Sb3  1  0.58  0.0  0.0  1.0
  Br  Br2  1  0.0  0.0  0.0  1.0

data_Be2SbBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.35
_cell_length_b   5.03
_cell_length_c   5.03
_cell_angle_alpha   89.34
_cell_angle_beta   73.65
_cell_angle_gamma   73.65
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2SbBr
_chemical_formula_sum   'Be2 Sb1 Br1'
_cell_volume   77.91
_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  0.21  0.23  1.0
  Be  Be1  1  0.0  0.21  0.77  1.0
  Sb  Sb2  1  0.0  0.42  0.0  1.0
  Br  Br3  1  0.0  0.0  0.0  1.0

Be Be Sb Br