data_Be2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.52
_cell_length_b   5.52
_cell_length_c   6.87
_cell_angle_alpha   125.08
_cell_angle_beta   125.08
_cell_angle_gamma   29.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2Cl
_chemical_formula_sum   'Be4 Cl2'
_cell_volume   83.11
_cell_formula_units_Z   2
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  0.34  0.0  0.18  1.0
  Be  Be1  1  0.15  0.0  0.34  1.0
  Be  Be2  1  0.61  0.0  0.3  1.0
  Be  Be3  1  0.63  0.0  0.1  1.0
  Cl  Cl4  1  0.37  0.0  0.26  1.0
  Cl  Cl5  1  0.15  0.0  0.48  1.0

data_Be2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.82
_cell_length_b   5.52
_cell_length_c   5.84
_cell_angle_alpha   74.38
_cell_angle_beta   76.05
_cell_angle_gamma   75.24
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2Cl
_chemical_formula_sum   'Be4 Cl2'
_cell_volume   83.11
_cell_formula_units_Z   2
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  0.16  0.18  1.0
  Be  Be1  1  0.0  0.31  0.3  1.0
  Be  Be2  1  0.0  0.54  0.1  1.0
  Be  Be3  1  0.0  0.8  0.34  1.0
  Cl  Cl4  1  0.0  0.11  0.26  1.0
  Cl  Cl5  1  0.0  0.66  0.48  1.0

Be Be Be Be Cl Cl
Be Be Be Be Cl Cl 0 4 o o o 0 2 o o o 1 5 o o o 2 4 o o o 2 3 o o o 