data_CaCrCoPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.53
_cell_length_b   4.53
_cell_length_c   4.53
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaCrCoPt
_chemical_formula_sum   'Ca1 Cr1 Co1 Pt1'
_cell_volume   65.87
_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
  Ca  Ca0  1  0.0  0.0  0.0  1.0
  Cr  Cr2  1  0.21  0.21  0.21  1.0
  Co  Co1  1  0.6  0.6  0.6  1.0
  Pt  Pt3  1  0.81  0.81  0.81  1.0

data_CaCrCoPt
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.53
_cell_length_b   4.53
_cell_length_c   11.1
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   CaCrCoPt
_chemical_formula_sum   'Ca3 Cr3 Co3 Pt3'
_cell_volume   197.62
_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
  Ca  Ca0  3  0.0  0.0  0.0  1.0
  Cr  Cr1  3  0.0  0.0  0.79  1.0
  Co  Co2  3  0.0  0.0  0.4  1.0
  Pt  Pt3  3  0.0  0.0  0.19  1.0

Ca Cr Co Pt
Ca Cr Co Pt 0 3 - - - 0 2 - - o 0 2 - o - 0 2 o - - 0 1 o o o 0 1 o o - 0 1 - o o 0 1 o - o 1 3 - - o 1 3 - o - 1 3 o - - 1 2 - o o 1 2 o - o 1 2 o o - 2 3 o - o 2 3 - o o 2 3 o o - 2 3 o o o 
CaCrCoPt crystallizes in the trigonal R3m space group. Ca(1) is bonded in a 2-coordinate geometry to four equivalent Cr(1), three equivalent Co(1), and one Pt(1) atom. There is one shorter (2.28 Å) and three longer (2.98 Å) Ca(1)-Cr(1) bond lengths. All Ca(1)-Co(1) bond lengths are 2.71 Å. The Ca(1)-Pt(1) bond length is 2.13 Å. Cr(1) is bonded in a 10-coordinate geometry to four equivalent Ca(1), three equivalent Co(1), and three equivalent Pt(1) atoms. All Cr(1)-Co(1) bond lengths are 2.71 Å. All Cr(1)-Pt(1) bond lengths are 2.71 Å. Co(1) is bonded in a 10-coordinate geometry to three equivalent Ca(1), three equivalent Cr(1), and four equivalent Pt(1) atoms. There is one shorter (2.28 Å) and three longer (2.98 Å) Co(1)-Pt(1) bond lengths. Pt(1) is bonded in a 1-coordinate geometry to one Ca(1), three equivalent Cr(1), and four equivalent Co(1) atoms.