data_Mn2PtBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.71
_cell_length_b   4.71
_cell_length_c   4.71
_cell_angle_alpha   123.0
_cell_angle_beta   123.0
_cell_angle_gamma   84.88
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2PtBr
_chemical_formula_sum   'Mn2 Pt1 Br1'
_cell_volume   70.23
_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  0.25  0.0  0.74  1.0
  Mn  Mn2  1  0.0  0.25  0.74  1.0
  Pt  Pt3  1  0.0  0.0  0.48  1.0
  Br  Br0  1  0.0  0.0  0.0  1.0

data_Mn2PtBr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.36
_cell_length_b   6.36
_cell_length_c   4.71
_cell_angle_alpha   90.0
_cell_angle_beta   132.44
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Mn2PtBr
_chemical_formula_sum   'Mn4 Pt2 Br2'
_cell_volume   140.46
_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
  Mn  Mn0  4  0.38  0.38  0.49  1.0
  Pt  Pt1  2  0.0  0.0  0.48  1.0
  Br  Br2  2  0.0  0.0  0.0  1.0

Mn Mn Pt Br
Mn2PtBr crystallizes in the monoclinic Cm space group. Mn(1) is bonded in a distorted single-bond geometry to one Pt(1) and two equivalent Br(1) atoms. The Mn(1)-Pt(1) bond length is 1.15 Å. There is one shorter (2.11 Å) and one longer (3.05 Å) Mn(1)-Br(1) bond length. Pt(1) is bonded in a distorted L-shaped geometry to two equivalent Mn(1) and one Br(1) atom. The Pt(1)-Br(1) bond length is 2.24 Å. Br(1) is bonded in a 5-coordinate geometry to four equivalent Mn(1) and one Pt(1) atom.