data_LaMn2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.15
_cell_length_b   3.15
_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   LaMn2Mo
_chemical_formula_sum   'La1 Mn2 Mo1'
_cell_volume   72.9
_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  La0  1  0.0  0.0  0.68  1.0
  Mn  Mn1  1  0.57  0.57  0.02  1.0
  Mn  Mn2  1  0.57  0.57  0.34  1.0
  Mo  Mo3  1  0.0  0.0  0.0  1.0

data_LaMn2Mo
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.45
_cell_length_b   4.45
_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   LaMn2Mo
_chemical_formula_sum   'La2 Mn4 Mo2'
_cell_volume   145.8
_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  0.0  0.0  0.68  1.0
  Mn  Mn1  2  0.07  0.5  0.02  1.0
  Mn  Mn2  2  0.07  0.5  0.34  1.0
  Mo  Mo3  2  0.0  0.0  0.0  1.0

La Mn Mn Mo
LaMoMn2 crystallizes in the monoclinic Cm space group. La(1) is bonded in a distorted single-bond geometry to one Mo(1) and four equivalent Mn(2) atoms. The La(1)-Mo(1) bond length is 2.34 Å. There are a spread of La(1)-Mn(2) bond distances ranging from 3.14-3.57 Å. Mo(1) is bonded to one La(1), four equivalent Mn(1), and four equivalent Mn(2) atoms to form a mixture of distorted edge and face-sharing MoLaMn8 square pyramids. There are a spread of Mo(1)-Mn(1) bond distances ranging from 1.91-2.56 Å. There are a spread of Mo(1)-Mn(2) bond distances ranging from 3.15-3.58 Å. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 4-coordinate geometry to four equivalent Mo(1) and one Mn(2) atom. The Mn(1)-Mn(2) bond length is 2.36 Å. In the second Mn site, Mn(2) is bonded in a 13-coordinate geometry to four equivalent La(1), four equivalent Mo(1), one Mn(1), and four equivalent Mn(2) atoms. All Mn(2)-Mn(2) bond lengths are 3.15 Å.