data_La2VCr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.94
_cell_length_b   4.94
_cell_length_c   4.94
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2VCr
_chemical_formula_sum   'La2 V1 Cr1'
_cell_volume   85.15
_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  0.75  0.75  0.75  1.0
  La  La2  1  0.49  0.49  0.49  1.0
  V  V3  1  0.0  0.0  0.0  1.0
  Cr  Cr0  1  0.24  0.24  0.24  1.0

data_La2VCr
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.94
_cell_length_b   4.94
_cell_length_c   12.1
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   La2VCr
_chemical_formula_sum   'La6 V3 Cr3'
_cell_volume   255.44
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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  3  0.0  0.0  0.25  1.0
  La  La1  3  0.0  0.0  0.51  1.0
  V  V2  3  0.0  0.0  0.0  1.0
  Cr  Cr3  3  0.0  0.0  0.76  1.0

La La V Cr
La La V Cr 0 3 o o + 0 3 o + o 0 3 o + + 0 3 + o o 0 3 + o + 0 3 + + o 0 1 o o o 0 1 o o + 0 1 o + o 0 1 + o o 0 2 o + + 0 2 + o + 0 2 + + o 0 2 + + + 1 3 o o o 1 3 o o + 1 3 o + o 1 3 + o o 1 2 o o + 1 2 o + o 1 2 o + + 1 2 + o o 1 2 + o + 1 2 + + o 2 3 o - o 2 3 - o o 2 3 o o - 2 3 o o o 
La2VCr is Zintl Phase-derived structured and crystallizes in the trigonal R3m space group. There are two inequivalent La sites. In the first La site, La(1) is bonded to four equivalent V(1) and six equivalent Cr(1) atoms to form distorted LaV4Cr6 tetrahedra that share corners with six equivalent La(1)V4Cr6 tetrahedra, edges with twelve equivalent La(2)V6Cr4 tetrahedra, faces with four equivalent La(2)V6Cr4 tetrahedra, and faces with twelve equivalent La(1)V4Cr6 tetrahedra. There are three shorter (3.01 Å) and one longer (3.07 Å) La(1)-V(1) bond length. There are three shorter (3.44 Å) and three longer (3.55 Å) La(1)-Cr(1) bond lengths. In the second La site, La(2) is bonded to six equivalent V(1) and four equivalent Cr(1) atoms to form distorted LaV6Cr4 tetrahedra that share corners with six equivalent La(2)V6Cr4 tetrahedra, edges with twelve equivalent La(1)V4Cr6 tetrahedra, faces with four equivalent La(1)V4Cr6 tetrahedra, and faces with twelve equivalent La(2)V6Cr4 tetrahedra. There are three shorter (3.44 Å) and three longer (3.55 Å) La(2)-V(1) bond lengths. There are three shorter (3.01 Å) and one longer (3.07 Å) La(2)-Cr(1) bond length. V(1) is bonded in a 14-coordinate geometry to four equivalent La(1), six equivalent La(2), and four equivalent Cr(1) atoms. There is one shorter (2.87 Å) and three longer (3.08 Å) V(1)-Cr(1) bond lengths. Cr(1) is bonded in a 14-coordinate geometry to four equivalent La(2), six equivalent La(1), and four equivalent V(1) atoms.