data_YMnPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.66
_cell_length_b   4.66
_cell_length_c   4.66
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YMnPt2
_chemical_formula_sum   'Y1 Mn1 Pt2'
_cell_volume   71.49
_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
  Y  Y3  1  0.65  0.65  0.65  1.0
  Mn  Mn0  1  0.0  0.0  0.0  1.0
  Pt  Pt1  1  0.29  0.29  0.29  1.0
  Pt  Pt2  1  0.94  0.94  0.94  1.0

data_YMnPt2
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.66
_cell_length_b   4.66
_cell_length_c   11.41
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   YMnPt2
_chemical_formula_sum   'Y3 Mn3 Pt6'
_cell_volume   214.47
_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
  Y  Y0  3  0.0  0.0  0.35  1.0
  Mn  Mn1  3  0.0  0.0  0.0  1.0
  Pt  Pt2  3  0.0  0.0  0.06  1.0
  Pt  Pt3  3  0.0  0.0  0.71  1.0

Y Mn Pt Pt
Y Mn Pt Pt 0 2 o o + 0 2 o + o 0 2 + o o 0 1 o + + 0 1 + o + 0 1 + + o 0 3 - o o 0 3 o - o 0 3 o o - 1 3 - - - 1 2 o o - 1 2 o - o 1 2 - o o 2 3 - - o 2 3 - o - 2 3 o - - 
YMnPt2 crystallizes in the trigonal R3m space group. Y(1) is bonded in a 10-coordinate geometry to three equivalent Mn(1), three equivalent Pt(1), and four equivalent Pt(2) atoms. All Y(1)-Mn(1) bond lengths are 2.70 Å. All Y(1)-Pt(1) bond lengths are 2.70 Å. There are three shorter (2.73 Å) and one longer (3.36 Å) Y(1)-Pt(2) bond length. Mn(1) is bonded in a single-bond geometry to three equivalent Y(1), one Pt(2), and four equivalent Pt(1) atoms. The Mn(1)-Pt(2) bond length is 0.67 Å. There are three shorter (2.73 Å) and one longer (3.36 Å) Mn(1)-Pt(1) bond length. There are two inequivalent Pt sites. In the first Pt site, Pt(1) is bonded in a 7-coordinate geometry to three equivalent Y(1) and four equivalent Mn(1) atoms. In the second Pt site, Pt(2) is bonded in a single-bond geometry to four equivalent Y(1) and one Mn(1) atom.