data_Be2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.03
_cell_length_b   4.77
_cell_length_c   2.03
_cell_angle_alpha   85.38
_cell_angle_beta   70.95
_cell_angle_gamma   23.67
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2Cl
_chemical_formula_sum   'Be2 Cl1'
_cell_volume   15.1
_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  0.88  0.82  0.05  1.0
  Be  Be1  1  0.88  0.82  0.33  1.0
  Cl  Cl2  1  0.0  0.0  0.0  1.0

data_Be2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   1.76
_cell_length_b   2.03
_cell_length_c   4.77
_cell_angle_alpha   85.38
_cell_angle_beta   79.34
_cell_angle_gamma   64.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2Cl
_chemical_formula_sum   'Be2 Cl1'
_cell_volume   15.1
_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  0.67  0.21  0.29  1.0
  Be  Be1  1  0.95  0.93  0.29  1.0
  Cl  Cl2  1  0.0  0.0  0.0  1.0

Be Be Cl
Be Be Cl 0 1 o o o 0 2 + + o 1 2 + + o 