data_SrCaInRe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.16
_cell_length_b   5.16
_cell_length_c   5.16
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrCaInRe
_chemical_formula_sum   'Sr1 Ca1 In1 Re1'
_cell_volume   97.35
_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  0.48  0.48  0.48  1.0
  Ca  Ca0  1  0.0  0.0  0.0  1.0
  In  In1  1  0.65  0.65  0.65  1.0
  Re  Re2  1  0.83  0.83  0.83  1.0

data_SrCaInRe
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.16
_cell_length_b   5.16
_cell_length_c   12.65
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   SrCaInRe
_chemical_formula_sum   'Sr3 Ca3 In3 Re3'
_cell_volume   292.04
_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  0.52  1.0
  Ca  Ca1  3  0.0  0.0  0.0  1.0
  In  In2  3  0.0  0.0  0.35  1.0
  Re  Re3  3  0.0  0.0  0.17  1.0

Sr Ca In Re
Sr Ca In Re 0 2 o o o 1 3 - - - 2 3 o o o 
SrCaReIn crystallizes in the trigonal R3m space group. Sr(1) is bonded to three equivalent Re(1) and one In(1) atom to form distorted SrInRe3 trigonal pyramids that share  a cornercorner with one Re(1)Sr3CaIn trigonal bipyramid, corners with three equivalent In(1)SrCa3Re trigonal bipyramids, and corners with six equivalent Sr(1)InRe3 trigonal pyramids. All Sr(1)-Re(1) bond lengths are 2.99 Å. The Sr(1)-In(1) bond length is 2.21 Å. Ca(1) is bonded in a distorted single-bond geometry to one Re(1) and three equivalent In(1) atoms. The Ca(1)-Re(1) bond length is 2.21 Å. All Ca(1)-In(1) bond lengths are 2.99 Å. Re(1) is bonded to three equivalent Sr(1), one Ca(1), and one In(1) atom to form distorted ReSr3CaIn trigonal bipyramids that share corners with six equivalent Re(1)Sr3CaIn trigonal bipyramids,  a cornercorner with one Sr(1)InRe3 trigonal pyramid, and edges with three equivalent In(1)SrCa3Re trigonal bipyramids. The Re(1)-In(1) bond length is 2.21 Å. In(1) is bonded to one Sr(1), three equivalent Ca(1), and one Re(1) atom to form distorted InSrCa3Re trigonal bipyramids that share corners with six equivalent In(1)SrCa3Re trigonal bipyramids, corners with three equivalent Sr(1)InRe3 trigonal pyramids, and edges with three equivalent Re(1)Sr3CaIn trigonal bipyramids.