data_Mn4AsPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.85
_cell_length_b   4.85
_cell_length_c   4.85
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn4AsPt
_chemical_formula_sum   'Mn4 As1 Pt1'
_cell_volume   80.51
_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
  Mn  Mn1  1  0.28  0.28  0.57  1.0
  Mn  Mn2  1  0.28  0.57  0.28  1.0
  Mn  Mn3  1  0.57  0.28  0.28  1.0
  Mn  Mn4  1  0.57  0.57  0.57  1.0
  As  As0  1  0.0  0.0  0.0  1.0
  Pt  Pt5  1  0.14  0.14  0.14  1.0

data_Mn4AsPt
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.85
_cell_length_b   4.85
_cell_length_c   11.87
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Mn4AsPt
_chemical_formula_sum   'Mn12 As3 Pt3'
_cell_volume   241.53
_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
  Mn  Mn0  9  0.09  0.19  0.62  1.0
  Mn  Mn1  3  0.0  0.0  0.43  1.0
  As  As2  3  0.0  0.0  0.0  1.0
  Pt  Pt3  3  0.0  0.0  0.86  1.0

Mn Mn Mn Mn As Pt
Mn Mn Mn Mn As Pt 0 2 o o o 0 1 o o o 0 3 o o o 0 3 o - o 0 3 - o o 0 4 o o + 1 2 o o o 1 3 o o o 1 3 o o - 1 3 - o o 1 4 o + o 2 3 o o o 2 3 o o - 2 3 o - o 2 4 + o o 3 5 o o + 3 5 o + o 3 5 + o o 3 4 o + + 3 4 + o + 3 4 + + o 4 5 o o o 
Mn4PtAs crystallizes in the trigonal R3m space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 4-coordinate geometry to two equivalent Mn(1), three equivalent Mn(2), one Pt(1), and one As(1) atom. Both Mn(1)-Mn(1) bond lengths are 1.38 Å. There is one shorter (2.39 Å) and two longer (3.02 Å) Mn(1)-Mn(2) bond lengths. The Mn(1)-Pt(1) bond length is 2.29 Å. The Mn(1)-As(1) bond length is 2.08 Å. In the second Mn site, Mn(2) is bonded in a 15-coordinate geometry to nine equivalent Mn(1), three equivalent Pt(1), and three equivalent As(1) atoms. All Mn(2)-Pt(1) bond lengths are 3.02 Å. All Mn(2)-As(1) bond lengths are 3.03 Å. Pt(1) is bonded in a 4-coordinate geometry to three equivalent Mn(1), three equivalent Mn(2), and one As(1) atom. The Pt(1)-As(1) bond length is 1.67 Å. As(1) is bonded in a 4-coordinate geometry to three equivalent Mn(1), three equivalent Mn(2), and one Pt(1) atom.