data_BeCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.94
_cell_length_b   5.94
_cell_length_c   7.05
_cell_angle_alpha   90.47
_cell_angle_beta   90.47
_cell_angle_gamma   31.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeCl2
_chemical_formula_sum   'Be2 Cl4'
_cell_volume   130.26
_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  0.01  0.0  0.09  1.0
  Be  Be1  1  0.93  0.0  0.95  1.0
  Cl  Cl2  1  0.62  0.0  0.37  1.0
  Cl  Cl3  1  0.96  0.0  0.44  1.0
  Cl  Cl4  1  0.56  0.0  0.78  1.0
  Cl  Cl5  1  0.95  0.0  0.71  1.0

data_BeCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.23
_cell_length_b   5.94
_cell_length_c   7.05
_cell_angle_alpha   90.47
_cell_angle_beta   90.0
_cell_angle_gamma   105.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeCl2
_chemical_formula_sum   'Be2 Cl4'
_cell_volume   130.26
_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  0.07  0.05  1.0
  Be  Be1  1  0.0  0.99  0.91  1.0
  Cl  Cl2  1  0.0  0.04  0.56  1.0
  Cl  Cl3  1  0.0  0.05  0.29  1.0
  Cl  Cl4  1  0.0  0.38  0.63  1.0
  Cl  Cl5  1  0.0  0.44  0.22  1.0

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