data_CaLa2Mn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.31
_cell_length_b   6.31
_cell_length_c   6.67
_cell_angle_alpha   119.22
_cell_angle_beta   119.22
_cell_angle_gamma   34.6
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaLa2Mn
_chemical_formula_sum   'Ca1 La2 Mn1'
_cell_volume   129.48
_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
  Ca  Ca0  1  0.12  0.0  0.62  1.0
  La  La1  1  0.94  0.0  0.33  1.0
  La  La2  1  0.05  0.0  0.74  1.0
  Mn  Mn3  1  0.43  0.0  0.64  1.0

data_CaLa2Mn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.75
_cell_length_b   6.31
_cell_length_c   6.57
_cell_angle_alpha   62.34
_cell_angle_beta   73.42
_cell_angle_gamma   72.7
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaLa2Mn
_chemical_formula_sum   'Ca1 La2 Mn1'
_cell_volume   129.48
_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
  Ca  Ca0  1  0.0  0.51  0.62  1.0
  La  La1  1  0.0  0.3  0.74  1.0
  La  La2  1  0.0  0.61  0.33  1.0
  Mn  Mn3  1  0.0  0.79  0.64  1.0

Ca La La Mn
CaLa2Mn crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one CaLa2Mn cluster. Ca(1) is bonded in a distorted trigonal planar geometry to one La(1), one La(2), and one Mn(1) atom. The Ca(1)-La(1) bond length is 1.70 Å. The Ca(1)-La(2) bond length is 1.15 Å. The Ca(1)-Mn(1) bond length is 1.85 Å. There are two inequivalent La sites. In the first La site, La(1) is bonded in a single-bond geometry to one Ca(1) atom. In the second La site, La(2) is bonded in a single-bond geometry to one Ca(1) atom. Mn(1) is bonded in a single-bond geometry to one Ca(1) atom.