data_SrCaHfCr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.19
_cell_length_b   5.19
_cell_length_c   5.19
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrCaHfCr
_chemical_formula_sum   'Sr1 Ca1 Hf1 Cr1'
_cell_volume   98.95
_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  0.51  0.51  0.51  1.0
  Ca  Ca0  1  0.0  0.0  0.0  1.0
  Hf  Hf2  1  0.84  0.84  0.84  1.0
  Cr  Cr1  1  0.67  0.67  0.67  1.0

data_SrCaHfCr
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.19
_cell_length_b   5.19
_cell_length_c   12.72
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   SrCaHfCr
_chemical_formula_sum   'Sr3 Ca3 Hf3 Cr3'
_cell_volume   296.85
_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  0.49  1.0
  Ca  Ca1  3  0.0  0.0  0.0  1.0
  Hf  Hf2  3  0.0  0.0  0.16  1.0
  Cr  Cr3  3  0.0  0.0  0.33  1.0

Sr Ca Hf Cr
SrCaHfCr crystallizes in the trigonal R3m space group. Sr(1) is bonded in a distorted single-bond geometry to one Cr(1) atom. The Sr(1)-Cr(1) bond length is 2.09 Å. Ca(1) is bonded to one Hf(1) and three equivalent Cr(1) atoms to form distorted CaHfCr3 trigonal pyramids that share  a cornercorner with one Cr(1)SrCa3Hf trigonal bipyramid and corners with six equivalent Ca(1)HfCr3 trigonal pyramids. The Ca(1)-Hf(1) bond length is 2.09 Å. All Ca(1)-Cr(1) bond lengths are 3.00 Å. Hf(1) is bonded in a distorted linear geometry to one Ca(1) and one Cr(1) atom. The Hf(1)-Cr(1) bond length is 2.09 Å. Cr(1) is bonded to one Sr(1), three equivalent Ca(1), and one Hf(1) atom to form distorted CrSrCa3Hf trigonal bipyramids that share corners with six equivalent Cr(1)SrCa3Hf trigonal bipyramids and  a cornercorner with one Ca(1)HfCr3 trigonal pyramid.