data_LaMnNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.16
_cell_length_b   3.16
_cell_length_c   6.61
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaMnNi2
_chemical_formula_sum   'La1 Mn1 Ni2'
_cell_volume   65.93
_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  0.58  0.58  0.14  1.0
  Mn  Mn1  1  0.0  0.0  0.52  1.0
  Ni  Ni2  1  0.58  0.58  0.59  1.0
  Ni  Ni3  1  0.0  0.0  0.27  1.0

data_LaMnNi2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.47
_cell_length_b   4.47
_cell_length_c   6.61
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LaMnNi2
_chemical_formula_sum   'La2 Mn2 Ni4'
_cell_volume   131.86
_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  0.14  1.0
  Mn  Mn1  2  0.0  0.0  0.52  1.0
  Ni  Ni2  2  0.0  0.0  0.27  1.0
  Ni  Ni3  2  0.08  0.5  0.59  1.0

La Mn Ni Ni
LaMnNi2 crystallizes in the monoclinic Cm space group. La(1) is bonded in a 6-coordinate geometry to two equivalent Ni(1) and four equivalent Ni(2) atoms. There is one shorter (3.01 Å) and one longer (3.60 Å) La(1)-Ni(1) bond length. There are a spread of La(1)-Ni(2) bond distances ranging from 2.07-2.73 Å. Mn(1) is bonded in a 5-coordinate geometry to one Ni(2) and four equivalent Ni(1) atoms. The Mn(1)-Ni(2) bond length is 1.69 Å. There are a spread of Mn(1)-Ni(1) bond distances ranging from 1.93-2.63 Å. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 6-coordinate geometry to two equivalent La(1) and four equivalent Mn(1) atoms. In the second Ni site, Ni(2) is bonded in a 5-coordinate geometry to four equivalent La(1) and one Mn(1) atom.