data_LaFeMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.16
_cell_length_b   3.16
_cell_length_c   7.4
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaFeMo2
_chemical_formula_sum   'La1 Fe1 Mo2'
_cell_volume   73.79
_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
  La  La1  1  0.58  0.58  0.51  1.0
  Fe  Fe0  1  0.0  0.0  0.17  1.0
  Mo  Mo2  1  0.0  0.0  0.46  1.0
  Mo  Mo3  1  0.58  0.58  0.97  1.0

data_LaFeMo2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.46
_cell_length_b   4.46
_cell_length_c   7.4
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LaFeMo2
_chemical_formula_sum   'La2 Fe2 Mo4'
_cell_volume   147.57
_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
  La  La0  2  0.08  0.5  0.51  1.0
  Fe  Fe1  2  0.0  0.0  0.17  1.0
  Mo  Mo2  2  0.0  0.0  0.46  1.0
  Mo  Mo3  2  0.08  0.5  0.97  1.0

La Fe Mo Mo
LaMo2Fe crystallizes in the monoclinic Cm space group. La(1) is bonded in a 5-coordinate geometry to one Mo(2) and four equivalent Mo(1) atoms. The La(1)-Mo(2) bond length is 3.40 Å. There are a spread of La(1)-Mo(1) bond distances ranging from 1.91-2.61 Å. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to four equivalent La(1) and one Fe(1) atom to form a mixture of distorted corner and edge-sharing MoLa4Fe square pyramids. The Mo(1)-Fe(1) bond length is 2.16 Å. In the second Mo site, Mo(2) is bonded in a 5-coordinate geometry to one La(1) and four equivalent Fe(1) atoms. There are a spread of Mo(2)-Fe(1) bond distances ranging from 2.40-2.98 Å. Fe(1) is bonded in a 5-coordinate geometry to one Mo(1) and four equivalent Mo(2) atoms.