data_LaMn2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.68
_cell_length_b   5.68
_cell_length_c   5.68
_cell_angle_alpha   133.47
_cell_angle_beta   133.47
_cell_angle_gamma   67.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaMn2Bi
_chemical_formula_sum   'La1 Mn2 Bi1'
_cell_volume   94.85
_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  0.0  0.0  0.71  1.0
  Mn  Mn2  1  0.0  0.24  0.36  1.0
  Mn  Mn3  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.24  0.0  0.36  1.0

data_LaMn2Bi
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.49
_cell_length_b   4.49
_cell_length_c   5.68
_cell_angle_alpha   113.26
_cell_angle_beta   113.26
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaMn2Bi
_chemical_formula_sum   'La1 Mn2 Bi1'
_cell_volume   94.85
_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  0.29  0.0  0.29  1.0
  Mn  Mn1  1  0.0  0.0  0.0  1.0
  Mn  Mn2  1  0.89  0.24  0.89  1.0
  Bi  Bi3  1  0.64  0.0  0.89  1.0

La Mn Mn Bi
LaMn2Bi crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one LaMn2Bi cluster. La(1) is bonded in a distorted single-bond geometry to one Mn(2) atom. The La(1)-Mn(2) bond length is 1.64 Å. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 1-coordinate geometry to one Bi(1) atom. The Mn(1)-Bi(1) bond length is 1.54 Å. In the second Mn site, Mn(2) is bonded in a 2-coordinate geometry to one La(1) and one Bi(1) atom. The Mn(2)-Bi(1) bond length is 1.47 Å. Bi(1) is bonded in a 2-coordinate geometry to one Mn(1) and one Mn(2) atom.