data_CaZn3Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.84
_cell_length_b   4.84
_cell_length_c   4.84
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaZn3Pt
_chemical_formula_sum   'Ca1 Zn3 Pt1'
_cell_volume   113.45
_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
  Ca  Ca3  1  0.0  0.0  0.0  1.0
  Zn  Zn0  1  0.42  0.0  0.42  1.0
  Zn  Zn1  1  0.42  0.42  0.0  1.0
  Zn  Zn2  1  0.0  0.42  0.42  1.0
  Pt  Pt4  1  0.42  0.42  0.42  1.0

data_CaZn3Pt
_symmetry_space_group_name_H-M   R3m
_cell_length_a   6.85
_cell_length_b   6.85
_cell_length_c   8.38
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   CaZn3Pt
_chemical_formula_sum   'Ca3 Zn9 Pt3'
_cell_volume   340.36
_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
  Ca  Ca0  3  0.0  0.0  0.0  1.0
  Zn  Zn1  9  0.05  0.53  0.95  1.0
  Pt  Pt2  3  0.0  0.0  0.42  1.0

Ca Zn Zn Zn Pt
Ca Zn Zn Zn Pt 0 2 - o o 0 2 o - o 0 2 o o o 0 1 - o o 0 1 o o - 0 1 o o o 0 3 o - o 0 3 o o - 0 3 o o o 0 4 o o o 1 4 o o o 2 4 o o o 3 4 o o o 
CaPtZn3 crystallizes in the trigonal R3m space group. Ca(1) is bonded in a 9-coordinate geometry to nine equivalent Zn(1) atoms. There are three shorter (2.88 Å) and six longer (3.47 Å) Ca(1)-Zn(1) bond lengths. Pt(1) is bonded to six equivalent Zn(1) atoms to form corner-sharing PtZn6 octahedra. The corner-sharing octahedra are not tilted. There are three shorter (2.04 Å) and three longer (2.81 Å) Pt(1)-Zn(1) bond lengths. Zn(1) is bonded in a 1-coordinate geometry to three equivalent Ca(1) and two equivalent Pt(1) atoms.