data_La2YCr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.47
_cell_length_b   6.47
_cell_length_c   6.47
_cell_angle_alpha   148.1
_cell_angle_beta   127.68
_cell_angle_gamma   62.6
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2YCr
_chemical_formula_sum   'La2 Y1 Cr1'
_cell_volume   112.14
_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  0.85  0.41  1.0
  La  La2  1  0.78  0.0  0.12  1.0
  Y  Y3  1  0.0  0.0  0.53  1.0
  Cr  Cr0  1  0.0  0.0  0.0  1.0

data_La2YCr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.56
_cell_length_b   5.7
_cell_length_c   6.47
_cell_angle_alpha   116.16
_cell_angle_beta   105.95
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2YCr
_chemical_formula_sum   'La2 Y1 Cr1'
_cell_volume   112.14
_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  0.0  0.12  0.34  1.0
  La  La1  1  0.15  0.56  0.56  1.0
  Y  Y2  1  0.0  0.53  0.53  1.0
  Cr  Cr3  1  0.0  0.0  0.0  1.0

La La Y Cr
La La Y Cr 0 2 o + o 0 1 - + o 1 3 + o o 1 2 + o o 
La2YCr crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one La2YCr cluster. There are two inequivalent La sites. In the first La site, La(1) is bonded in a single-bond geometry to one Y(1) atom. The La(1)-Y(1) bond length is 0.51 Å. In the second La site, La(2) is bonded in a 2-coordinate geometry to one Y(1) and one Cr(1) atom. The La(2)-Y(1) bond length is 2.12 Å. The La(2)-Cr(1) bond length is 1.98 Å. Y(1) is bonded in a single-bond geometry to one La(1) and one La(2) atom. Cr(1) is bonded in a single-bond geometry to one La(2) atom.