data_BeCd2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.46
_cell_length_b   3.33
_cell_length_c   7.41
_cell_angle_alpha   90.0
_cell_angle_beta   102.03
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeCd2Cl
_chemical_formula_sum   'Be1 Cd2 Cl1'
_cell_volume   83.4
_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  0.63  0.0  0.52  1.0
  Cd  Cd1  1  0.65  0.66  0.98  1.0
  Cd  Cd2  1  0.9  0.0  0.28  1.0
  Cl  Cl3  1  0.61  0.66  0.33  1.0

data_BeCd2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.33
_cell_length_b   3.46
_cell_length_c   7.41
_cell_angle_alpha   102.03
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeCd2Cl
_chemical_formula_sum   'Be1 Cd2 Cl1'
_cell_volume   83.4
_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  0.37  0.48  1.0
  Cd  Cd1  1  0.0  0.1  0.72  1.0
  Cd  Cd2  1  0.34  0.35  0.02  1.0
  Cl  Cl3  1  0.34  0.39  0.67  1.0

Be Cd Cd Cl