data_Fe2BiMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.16
_cell_length_b   3.16
_cell_length_c   6.77
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2BiMo
_chemical_formula_sum   'Fe2 Bi1 Mo1'
_cell_volume   67.5
_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
  Fe  Fe1  1  0.0  0.0  0.44  1.0
  Fe  Fe2  1  0.58  0.58  0.6  1.0
  Bi  Bi0  1  0.58  0.58  0.16  1.0
  Mo  Mo3  1  0.0  0.0  0.95  1.0

data_Fe2BiMo
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.47
_cell_length_b   4.47
_cell_length_c   6.77
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Fe2BiMo
_chemical_formula_sum   'Fe4 Bi2 Mo2'
_cell_volume   135.0
_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
  Fe  Fe0  2  0.0  0.0  0.44  1.0
  Fe  Fe1  2  0.08  0.5  0.6  1.0
  Bi  Bi2  2  0.08  0.5  0.16  1.0
  Mo  Mo3  2  0.0  0.0  0.95  1.0

Fe Fe Bi Mo
Fe Fe Bi Mo 0 2 - - o 0 2 o o o 0 2 o - o 0 2 - o o 0 1 - - o 0 1 - o o 0 1 o - o 0 1 o o o 1 2 o o o 1 3 + + o 2 3 o o - 2 3 o + - 2 3 + o - 2 3 + + - 2 2 + o o 2 2 o + o 3 3 + o o 3 3 o + o 
MoFe2Bi crystallizes in the monoclinic Cm space group. Mo(1) is bonded in a 1-coordinate geometry to four equivalent Fe(2) and three equivalent Bi(1) atoms. There are a spread of Mo(1)-Fe(2) bond distances ranging from 3.02-3.50 Å. There is one shorter (2.34 Å) and two longer (2.65 Å) Mo(1)-Bi(1) bond lengths. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 8-coordinate geometry to four equivalent Fe(2) and four equivalent Bi(1) atoms. There are a spread of Fe(1)-Fe(2) bond distances ranging from 2.18-2.81 Å. There are a spread of Fe(1)-Bi(1) bond distances ranging from 2.68-3.21 Å. In the second Fe site, Fe(2) is bonded in a 9-coordinate geometry to four equivalent Mo(1), four equivalent Fe(1), and one Bi(1) atom. The Fe(2)-Bi(1) bond length is 3.01 Å. Bi(1) is bonded in a 4-coordinate geometry to three equivalent Mo(1), one Fe(2), and four equivalent Fe(1) atoms.