data_ZrMnIrPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.52
_cell_length_b   4.52
_cell_length_c   4.52
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrMnIrPt
_chemical_formula_sum   'Zr1 Mn1 Ir1 Pt1'
_cell_volume   65.25
_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
  Zr  Zr3  1  0.79  0.79  0.79  1.0
  Mn  Mn1  1  0.0  0.0  0.0  1.0
  Ir  Ir0  1  0.6  0.6  0.6  1.0
  Pt  Pt2  1  0.2  0.2  0.2  1.0

data_ZrMnIrPt
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.52
_cell_length_b   4.52
_cell_length_c   11.07
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   ZrMnIrPt
_chemical_formula_sum   'Zr3 Mn3 Ir3 Pt3'
_cell_volume   195.76
_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
  Zr  Zr0  3  0.0  0.0  0.21  1.0
  Mn  Mn1  3  0.0  0.0  -0.0  1.0
  Ir  Ir2  3  0.0  0.0  0.4  1.0
  Pt  Pt3  3  0.0  0.0  0.8  1.0

Zr Mn Ir Pt
Zr Mn Ir Pt 0 2 o o o 0 2 o + o 0 2 + o o 0 2 o o + 0 3 o + + 0 3 + o + 0 3 + + o 0 1 + + + 1 2 - - o 1 2 - o - 1 2 o - - 1 3 o o o 1 3 o o - 1 3 - o o 1 3 o - o 2 3 o o + 2 3 o + o 2 3 + o o 
ZrMnIrPt crystallizes in the trigonal R3m space group. Zr(1) is bonded in a 5-coordinate geometry to four equivalent Mn(1), one Ir(1), and three equivalent Pt(1) atoms. There is one shorter (2.29 Å) and three longer (2.96 Å) Zr(1)-Mn(1) bond lengths. The Zr(1)-Ir(1) bond length is 2.16 Å. All Zr(1)-Pt(1) bond lengths are 2.72 Å. Mn(1) is bonded in a 11-coordinate geometry to four equivalent Zr(1), three equivalent Ir(1), and four equivalent Pt(1) atoms. All Mn(1)-Ir(1) bond lengths are 2.72 Å. There is one shorter (2.16 Å) and three longer (3.02 Å) Mn(1)-Pt(1) bond lengths. Ir(1) is bonded in a distorted single-bond geometry to one Zr(1) and three equivalent Mn(1) atoms. Pt(1) is bonded in a 1-coordinate geometry to three equivalent Zr(1) and four equivalent Mn(1) atoms.