data_MoPt2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.02
_cell_length_b   5.02
_cell_length_c   2.77
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MoPt2Br
_chemical_formula_sum   'Mo1 Pt2 Br1'
_cell_volume   69.63
_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
  Mo  Mo1  1  0.51  0.51  0.0  1.0
  Pt  Pt2  1  0.51  0.0  0.38  1.0
  Pt  Pt3  1  0.0  0.51  0.38  1.0
  Br  Br0  1  0.0  0.0  0.0  1.0

data_MoPt2Br
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.1
_cell_length_b   7.1
_cell_length_c   2.77
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MoPt2Br
_chemical_formula_sum   'Mo2 Pt4 Br2'
_cell_volume   139.26
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Mo  Mo0  2  0.01  0.5  0.0  1.0
  Pt  Pt1  4  0.25  0.25  0.38  1.0
  Br  Br2  2  0.0  0.0  0.0  1.0

Mo Pt Pt Br
MoPt2Br is Titanium Disilicide-derived structured and crystallizes in the monoclinic Cm space group. Mo(1) is bonded in a 10-coordinate geometry to two equivalent Mo(1) and eight equivalent Pt(1) atoms. Both Mo(1)-Mo(1) bond lengths are 2.77 Å. There are a spread of Mo(1)-Pt(1) bond distances ranging from 2.68-3.07 Å. Pt(1) is bonded in a 10-coordinate geometry to four equivalent Mo(1), two equivalent Pt(1), and four equivalent Br(1) atoms. Both Pt(1)-Pt(1) bond lengths are 2.77 Å. There are a spread of Pt(1)-Br(1) bond distances ranging from 2.68-3.07 Å. Br(1) is bonded in a 10-coordinate geometry to eight equivalent Pt(1) and two equivalent Br(1) atoms. Both Br(1)-Br(1) bond lengths are 2.77 Å.