data_Mn2BiOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.03
_cell_length_b   3.03
_cell_length_c   7.36
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2BiOs
_chemical_formula_sum   'Mn2 Bi1 Os1'
_cell_volume   67.49
_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
  Mn  Mn1  1  0.0  0.0  0.41  1.0
  Mn  Mn2  1  0.51  0.51  0.91  1.0
  Bi  Bi0  1  0.51  0.51  0.51  1.0
  Os  Os3  1  0.0  0.0  0.21  1.0

data_Mn2BiOs
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.28
_cell_length_b   4.28
_cell_length_c   7.36
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Mn2BiOs
_chemical_formula_sum   'Mn4 Bi2 Os2'
_cell_volume   134.98
_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  2  0.0  0.0  0.41  1.0
  Mn  Mn1  2  0.01  0.5  0.91  1.0
  Bi  Bi2  2  0.01  0.5  0.51  1.0
  Os  Os3  2  0.0  0.0  0.21  1.0

Mn Mn Bi Os
Mn Mn Bi Os 0 3 o o o 0 2 o o o 0 2 o - o 0 2 - o o 0 2 - - o 1 3 o o + 1 3 o + + 1 3 + o + 1 3 + + + 1 1 + o o 1 1 o + o 1 2 o o o 
Mn2OsBi crystallizes in the monoclinic Cm space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a distorted single-bond geometry to one Os(1) and four equivalent Bi(1) atoms. The Mn(1)-Os(1) bond length is 1.49 Å. There are a spread of Mn(1)-Bi(1) bond distances ranging from 2.20-2.31 Å. In the second Mn site, Mn(2) is bonded in a 9-coordinate geometry to four equivalent Mn(2), four equivalent Os(1), and one Bi(1) atom. All Mn(2)-Mn(2) bond lengths are 3.03 Å. There are a spread of Mn(2)-Os(1) bond distances ranging from 3.06-3.14 Å. The Mn(2)-Bi(1) bond length is 2.93 Å. Os(1) is bonded in a single-bond geometry to one Mn(1) and four equivalent Mn(2) atoms. Bi(1) is bonded in a 5-coordinate geometry to one Mn(2) and four equivalent Mn(1) atoms.