data_SrCd3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.41
_cell_length_b   4.41
_cell_length_c   7.72
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrCd3
_chemical_formula_sum   'Sr1 Cd3'
_cell_volume   129.95
_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  0.0  1.0
  Cd  Cd0  1  1.0  0.55  0.26  1.0
  Cd  Cd1  1  1.0  0.55  0.46  1.0
  Cd  Cd2  1  0.0  0.0  0.86  1.0

data_SrCd3
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.41
_cell_length_b   7.64
_cell_length_c   7.72
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SrCd3
_chemical_formula_sum   'Sr2 Cd6'
_cell_volume   259.9
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Cd  Cd1  2  0.0  0.0  0.86  1.0
  Cd  Cd2  2  0.05  0.5  0.26  1.0
  Cd  Cd3  2  0.05  0.5  0.46  1.0

Sr Cd Cd Cd
Sr Cd Cd Cd 0 3 o o - 1 2 o o o 