data_Be(GaCl)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.79
_cell_length_b   6.79
_cell_length_c   6.79
_cell_angle_alpha   134.77
_cell_angle_beta   134.77
_cell_angle_gamma   65.89
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be(GaCl)2
_chemical_formula_sum   'Be1 Ga2 Cl2'
_cell_volume   155.51
_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
  Ga  Ga3  1  0.0  0.61  0.85  1.0
  Ga  Ga4  1  0.61  0.0  0.85  1.0
  Cl  Cl1  1  0.0  0.0  0.44  1.0
  Cl  Cl2  1  0.0  0.0  0.96  1.0

data_Be(GaCl)2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.39
_cell_length_b   7.39
_cell_length_c   6.79
_cell_angle_alpha   90.0
_cell_angle_beta   122.94
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Be(GaCl)2
_chemical_formula_sum   'Be2 Ga4 Cl4'
_cell_volume   311.02
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Ga  Ga1  4  0.46  0.31  0.76  1.0
  Cl  Cl2  2  0.04  0.0  0.04  1.0
  Cl  Cl3  2  0.06  0.5  0.56  1.0

Be Ga Ga Cl Cl