data_RbZrCr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.99
_cell_length_b   4.99
_cell_length_c   4.99
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   RbZrCr3
_chemical_formula_sum   'Rb1 Zr1 Cr3'
_cell_volume   124.23
_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
  Rb  Rb3  1  0.0  0.0  0.0  1.0
  Zr  Zr4  1  0.49  0.49  0.49  1.0
  Cr  Cr0  1  0.49  0.0  0.49  1.0
  Cr  Cr1  1  0.49  0.49  0.0  1.0
  Cr  Cr2  1  0.0  0.49  0.49  1.0

data_RbZrCr3
_symmetry_space_group_name_H-M   Pm-3m
_cell_length_a   4.99
_cell_length_b   4.99
_cell_length_c   4.99
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   221
_chemical_formula_structural   RbZrCr3
_chemical_formula_sum   'Rb1 Zr1 Cr3'
_cell_volume   124.23
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, -z'
  3  '-y, x, z'
  4  'y, -x, -z'
  5  '-x, -y, z'
  6  'x, y, -z'
  7  'y, -x, z'
  8  '-y, x, -z'
  9  'x, -y, -z'
  10  '-x, y, z'
  11  '-y, -x, -z'
  12  'y, x, z'
  13  '-x, y, -z'
  14  'x, -y, z'
  15  'y, x, -z'
  16  '-y, -x, z'
  17  'z, x, y'
  18  '-z, -x, -y'
  19  'z, -y, x'
  20  '-z, y, -x'
  21  'z, -x, -y'
  22  '-z, x, y'
  23  'z, y, -x'
  24  '-z, -y, x'
  25  '-z, x, -y'
  26  'z, -x, y'
  27  '-z, -y, -x'
  28  'z, y, x'
  29  '-z, -x, y'
  30  'z, x, -y'
  31  '-z, y, x'
  32  'z, -y, -x'
  33  'y, z, x'
  34  '-y, -z, -x'
  35  'x, z, -y'
  36  '-x, -z, y'
  37  '-y, z, -x'
  38  'y, -z, x'
  39  '-x, z, y'
  40  'x, -z, -y'
  41  '-y, -z, x'
  42  'y, z, -x'
  43  '-x, -z, -y'
  44  'x, z, y'
  45  'y, -z, -x'
  46  '-y, z, x'
  47  'x, -z, y'
  48  '-x, z, -y'
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
  Rb  Rb0  1  0.0  0.0  0.0  1.0
  Zr  Zr1  1  0.5  0.5  0.5  1.0
  Cr  Cr2  3  0.0  0.5  0.5  1.0

Rb Zr Cr Cr Cr
RbZrCr3 is (Cubic) Perovskite structured and crystallizes in the trigonal R3m space group. Rb(1) is bonded to twelve equivalent Cr(1) atoms to form RbCr12 cuboctahedra that share corners with twelve equivalent Rb(1)Cr12 cuboctahedra, faces with six equivalent Rb(1)Cr12 cuboctahedra, and faces with eight equivalent Zr(1)Cr6 octahedra. There are a spread of Rb(1)-Cr(1) bond distances ranging from 3.49-3.56 Å. Zr(1) is bonded to six equivalent Cr(1) atoms to form ZrCr6 octahedra that share corners with six equivalent Zr(1)Cr6 octahedra and faces with eight equivalent Rb(1)Cr12 cuboctahedra. The corner-sharing octahedra are not tilted. There are three shorter (2.47 Å) and three longer (2.52 Å) Zr(1)-Cr(1) bond lengths. Cr(1) is bonded to four equivalent Rb(1) and two equivalent Zr(1) atoms to form a mixture of distorted face, corner, and edge-sharing CrRb4Zr2 octahedra. The corner-sharing octahedral tilt angles range from 0-60°.