data_La2ZnCr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.56
_cell_length_b   3.56
_cell_length_c   7.89
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2ZnCr
_chemical_formula_sum   'La2 Zn1 Cr1'
_cell_volume   100.06
_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  0.78  0.78  0.34  1.0
  La  La2  1  0.0  0.0  0.7  1.0
  Zn  Zn3  1  0.78  0.78  0.47  1.0
  Cr  Cr0  1  0.0  0.0  0.21  1.0

data_La2ZnCr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.04
_cell_length_b   5.04
_cell_length_c   7.89
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   La2ZnCr
_chemical_formula_sum   'La4 Zn2 Cr2'
_cell_volume   200.12
_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  0.7  1.0
  La  La1  2  0.28  0.5  0.34  1.0
  Zn  Zn2  2  0.28  0.5  0.47  1.0
  Cr  Cr3  2  0.0  0.0  0.21  1.0

La La Zn Cr
La La Zn Cr 0 2 o o o 0 3 + + o 1 2 - - o 
La2CrZn crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two La2CrZn clusters. There are two inequivalent La sites. In the first La site, La(1) is bonded in a distorted bent 120 degrees geometry to one Cr(1) and one Zn(1) atom. The La(1)-Cr(1) bond length is 1.49 Å. The La(1)-Zn(1) bond length is 1.01 Å. In the second La site, La(2) is bonded in a single-bond geometry to one Zn(1) atom. The La(2)-Zn(1) bond length is 2.11 Å. Cr(1) is bonded in a single-bond geometry to one La(1) atom. Zn(1) is bonded in a distorted bent 150 degrees geometry to one La(1) and one La(2) atom.