data_SrMg2Cd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.38
_cell_length_b   5.38
_cell_length_c   5.38
_cell_angle_alpha   120.65
_cell_angle_beta   120.65
_cell_angle_gamma   88.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrMg2Cd
_chemical_formula_sum   'Sr1 Mg2 Cd1'
_cell_volume   109.28
_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  0.0  0.0  0.84  1.0
  Mg  Mg1  1  0.0  0.0  0.0  1.0
  Mg  Mg2  1  0.67  0.0  0.92  1.0
  Cd  Cd0  1  0.0  0.67  0.92  1.0

data_SrMg2Cd
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.33
_cell_length_b   5.33
_cell_length_c   5.38
_cell_angle_alpha   119.67
_cell_angle_beta   119.67
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrMg2Cd
_chemical_formula_sum   'Sr1 Mg2 Cd1'
_cell_volume   109.28
_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  0.84  0.84  0.84  1.0
  Mg  Mg1  1  0.0  0.0  0.0  1.0
  Mg  Mg2  1  0.92  0.26  0.26  1.0
  Cd  Cd3  1  0.26  0.92  0.26  1.0

Sr Mg Mg Cd