data_BeCdCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.22
_cell_length_b   6.22
_cell_length_c   6.22
_cell_angle_alpha   151.75
_cell_angle_beta   122.28
_cell_angle_gamma   65.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeCdCl2
_chemical_formula_sum   'Be1 Cd1 Cl2'
_cell_volume   95.14
_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
  Cd  Cd1  1  0.0  0.0  0.23  1.0
  Cl  Cl2  1  0.52  0.0  0.48  1.0
  Cl  Cl3  1  0.0  0.0  0.75  1.0

data_BeCdCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.03
_cell_length_b   6.0
_cell_length_c   6.22
_cell_angle_alpha   118.86
_cell_angle_beta   104.12
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeCdCl2
_chemical_formula_sum   'Be1 Cd1 Cl2'
_cell_volume   95.14
_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
  Cd  Cd1  1  0.77  0.77  0.77  1.0
  Cl  Cl2  1  0.04  0.52  0.04  1.0
  Cl  Cl3  1  0.25  0.25  0.25  1.0

Be Cd Cl Cl