data_NaCaLa2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.66
_cell_length_b   3.66
_cell_length_c   12.47
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   113.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaCaLa2
_chemical_formula_sum   'Na1 Ca1 La2'
_cell_volume   153.34
_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
  Na  Na3  1  0.0  0.0  0.25  1.0
  Ca  Ca0  1  0.01  0.0  0.1  1.0
  La  La1  1  0.0  0.0  0.36  1.0
  La  La2  1  0.01  0.0  0.48  1.0

data_NaCaLa2
_symmetry_space_group_name_H-M   Cmm2
_cell_length_a   4.01
_cell_length_b   6.13
_cell_length_c   12.47
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   35
_chemical_formula_structural   NaCaLa2
_chemical_formula_sum   'Na2 Ca2 La4'
_cell_volume   306.68
_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, y, z'
  4  'x, -y, z'
  5  'x+1/2, y+1/2, z'
  6  '-x+1/2, -y+1/2, z'
  7  '-x+1/2, y+1/2, z'
  8  '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
  Na  Na0  2  0.0  0.0  0.75  1.0
  Ca  Ca1  2  0.0  0.0  0.9  1.0
  La  La2  2  0.0  0.0  0.52  1.0
  La  La3  2  0.0  0.0  0.64  1.0

Na Ca La La
Na Ca La La 0 2 o o o 0 1 o o o 2 3 o o o 
NaCaLa2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one NaCaLa2 cluster. Na(1) is bonded in a distorted linear geometry to one Ca(1) and one La(1) atom. The Na(1)-Ca(1) bond length is 1.94 Å. The Na(1)-La(1) bond length is 1.28 Å. Ca(1) is bonded in a single-bond geometry to one Na(1) atom. There are two inequivalent La sites. In the first La site, La(1) is bonded in a distorted linear geometry to one Na(1) and one La(2) atom. The La(1)-La(2) bond length is 1.49 Å. In the second La site, La(2) is bonded in a single-bond geometry to one La(1) atom.