data_SrBeCd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.54
_cell_length_b   4.54
_cell_length_c   6.29
_cell_angle_alpha   110.27
_cell_angle_beta   110.27
_cell_angle_gamma   58.33
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrBeCd2
_chemical_formula_sum   'Sr1 Be1 Cd2'
_cell_volume   101.28
_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
  Sr  Sr3  1  0.71  0.0  0.89  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0
  Cd  Cd1  1  0.15  0.0  0.15  1.0
  Cd  Cd2  1  0.28  0.0  0.63  1.0

data_SrBeCd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.42
_cell_length_b   4.54
_cell_length_c   6.29
_cell_angle_alpha   110.27
_cell_angle_beta   90.0
_cell_angle_gamma   119.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrBeCd2
_chemical_formula_sum   'Sr1 Be1 Cd2'
_cell_volume   101.28
_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
  Sr  Sr0  1  0.0  0.29  0.11  1.0
  Be  Be1  1  0.0  0.0  0.0  1.0
  Cd  Cd2  1  0.0  0.72  0.37  1.0
  Cd  Cd3  1  0.0  0.85  0.85  1.0

Sr Be Cd Cd