data_SrCaCdOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.13
_cell_length_b   5.13
_cell_length_c   5.13
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrCaCdOs
_chemical_formula_sum   'Sr1 Ca1 Cd1 Os1'
_cell_volume   95.44
_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  0.44  0.44  0.44  1.0
  Ca  Ca0  1  0.0  0.0  0.0  1.0
  Cd  Cd1  1  0.63  0.63  0.63  1.0
  Os  Os2  1  0.81  0.81  0.81  1.0

data_SrCaCdOs
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.13
_cell_length_b   5.13
_cell_length_c   12.57
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   SrCaCdOs
_chemical_formula_sum   'Sr3 Ca3 Cd3 Os3'
_cell_volume   286.33
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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  3  0.0  0.0  0.56  1.0
  Ca  Ca1  3  0.0  0.0  0.0  1.0
  Cd  Cd2  3  0.0  0.0  0.37  1.0
  Os  Os3  3  0.0  0.0  0.19  1.0

Sr Ca Cd Os
Sr Ca Cd Os 0 3 - o o 0 3 o - o 0 3 o o - 0 2 o o o 1 3 - - - 1 2 - - o 1 2 - o - 1 2 o - - 2 3 o o o 
SrCaOsCd crystallizes in the trigonal R3m space group. Sr(1) is bonded in a 4-coordinate geometry to three equivalent Os(1) and one Cd(1) atom. All Sr(1)-Os(1) bond lengths are 3.00 Å. The Sr(1)-Cd(1) bond length is 2.34 Å. Ca(1) is bonded in a distorted single-bond geometry to one Os(1) and three equivalent Cd(1) atoms. The Ca(1)-Os(1) bond length is 2.34 Å. All Ca(1)-Cd(1) bond lengths are 3.00 Å. Os(1) is bonded in a 5-coordinate geometry to three equivalent Sr(1), one Ca(1), and one Cd(1) atom. The Os(1)-Cd(1) bond length is 2.34 Å. Cd(1) is bonded in a 5-coordinate geometry to one Sr(1), three equivalent Ca(1), and one Os(1) atom.