data_BePBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.63
_cell_length_b   3.28
_cell_length_c   5.54
_cell_angle_alpha   90.0
_cell_angle_beta   102.49
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BePBr2
_chemical_formula_sum   'Be1 P1 Br2'
_cell_volume   81.94
_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
  P  P3  1  0.71  0.0  0.7  1.0
  Br  Br1  1  0.92  0.64  0.29  1.0
  Br  Br2  1  0.51  0.64  0.12  1.0

data_BePBr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.28
_cell_length_b   4.63
_cell_length_c   5.54
_cell_angle_alpha   102.49
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BePBr2
_chemical_formula_sum   'Be1 P1 Br2'
_cell_volume   81.94
_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
  P  P1  1  0.0  0.29  0.3  1.0
  Br  Br2  1  0.36  0.08  0.71  1.0
  Br  Br3  1  0.36  0.49  0.88  1.0

Be P Br Br