data_SrCaZrCr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.21
_cell_length_b   5.21
_cell_length_c   5.21
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrCaZrCr
_chemical_formula_sum   'Sr1 Ca1 Zr1 Cr1'
_cell_volume   99.87
_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  Sr2  1  0.84  0.84  0.84  1.0
  Ca  Ca0  1  0.0  0.0  0.0  1.0
  Zr  Zr3  1  0.68  0.68  0.68  1.0
  Cr  Cr1  1  0.52  0.52  0.52  1.0

data_SrCaZrCr
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.21
_cell_length_b   5.21
_cell_length_c   12.76
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   SrCaZrCr
_chemical_formula_sum   'Sr3 Ca3 Zr3 Cr3'
_cell_volume   299.62
_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  0.16  1.0
  Ca  Ca1  3  0.0  0.0  0.0  1.0
  Zr  Zr2  3  0.0  0.0  0.32  1.0
  Cr  Cr3  3  0.0  0.0  0.48  1.0

Sr Ca Zr Cr
SrCaZrCr crystallizes in the trigonal R3m space group. Sr(1) is bonded to one Ca(1), one Zr(1), and three equivalent Cr(1) atoms to form distorted SrCaZrCr3 trigonal bipyramids that share corners with six equivalent Sr(1)CaZrCr3 trigonal bipyramids,  a cornercorner with one Cr(1)Sr3Zr trigonal pyramid, and corners with three equivalent Ca(1)SrZr3 trigonal pyramids. The Sr(1)-Ca(1) bond length is 2.03 Å. The Sr(1)-Zr(1) bond length is 2.03 Å. All Sr(1)-Cr(1) bond lengths are 3.01 Å. Ca(1) is bonded to one Sr(1) and three equivalent Zr(1) atoms to form distorted CaSrZr3 trigonal pyramids that share corners with three equivalent Sr(1)CaZrCr3 trigonal bipyramids, corners with six equivalent Ca(1)SrZr3 trigonal pyramids, and edges with three equivalent Cr(1)Sr3Zr trigonal pyramids. All Ca(1)-Zr(1) bond lengths are 3.01 Å. Zr(1) is bonded in a distorted linear geometry to one Sr(1), three equivalent Ca(1), and one Cr(1) atom. The Zr(1)-Cr(1) bond length is 2.03 Å. Cr(1) is bonded to three equivalent Sr(1) and one Zr(1) atom to form distorted CrSr3Zr trigonal pyramids that share  a cornercorner with one Sr(1)CaZrCr3 trigonal bipyramid, corners with six equivalent Cr(1)Sr3Zr trigonal pyramids, and edges with three equivalent Ca(1)SrZr3 trigonal pyramids.