data_MgBi2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.12
_cell_length_b   5.12
_cell_length_c   5.12
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgBi2Pt
_chemical_formula_sum   'Mg1 Bi2 Pt1'
_cell_volume   94.68
_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
  Mg  Mg2  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.81  0.81  0.81  1.0
  Bi  Bi1  1  0.43  0.43  0.43  1.0
  Pt  Pt3  1  0.62  0.62  0.62  1.0

data_MgBi2Pt
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.12
_cell_length_b   5.12
_cell_length_c   12.53
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   MgBi2Pt
_chemical_formula_sum   'Mg3 Bi6 Pt3'
_cell_volume   284.05
_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
  Mg  Mg0  3  0.0  0.0  0.0  1.0
  Bi  Bi1  3  0.0  0.0  0.19  1.0
  Bi  Bi2  3  0.0  0.0  0.57  1.0
  Pt  Pt3  3  0.0  0.0  0.38  1.0

Mg Bi Bi Pt
Mg Bi Bi Pt 0 1 - - - 0 3 - - o 0 3 - o - 0 3 o - - 0 2 - o o 0 2 o - o 0 2 o o - 1 3 o o o 1 2 + o o 1 2 o + o 1 2 o o + 2 3 o o o 
MgPtBi2 crystallizes in the trigonal R3m space group. Mg(1) is bonded in a 1-coordinate geometry to three equivalent Pt(1), one Bi(1), and three equivalent Bi(2) atoms. All Mg(1)-Pt(1) bond lengths are 3.02 Å. The Mg(1)-Bi(1) bond length is 2.40 Å. All Mg(1)-Bi(2) bond lengths are 3.18 Å. Pt(1) is bonded in a 5-coordinate geometry to three equivalent Mg(1), one Bi(1), and one Bi(2) atom. The Pt(1)-Bi(1) bond length is 2.40 Å. The Pt(1)-Bi(2) bond length is 2.40 Å. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a linear geometry to one Mg(1) and one Pt(1) atom. In the second Bi site, Bi(2) is bonded in a 4-coordinate geometry to three equivalent Mg(1) and one Pt(1) atom.