data_Be2BrCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.09
_cell_length_b   6.09
_cell_length_c   6.09
_cell_angle_alpha   150.55
_cell_angle_beta   98.29
_cell_angle_gamma   89.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2BrCl
_chemical_formula_sum   'Be2 Br1 Cl1'
_cell_volume   106.96
_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  0.98  0.29  1.0
  Be  Be1  1  0.0  0.0  0.65  1.0
  Br  Br2  1  0.0  0.98  0.75  1.0
  Cl  Cl3  1  0.0  0.0  0.32  1.0

data_Be2BrCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.1
_cell_length_b   6.09
_cell_length_c   6.09
_cell_angle_alpha   81.71
_cell_angle_beta   75.27
_cell_angle_gamma   75.27
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2BrCl
_chemical_formula_sum   'Be2 Br1 Cl1'
_cell_volume   106.96
_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  0.65  1.0
  Be  Be1  1  0.98  0.0  0.31  1.0
  Br  Br2  1  0.98  -0.0  0.77  1.0
  Cl  Cl3  1  0.0  0.0  0.32  1.0

Be Be Br Cl