data_LaZnCr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.71
_cell_length_b   4.71
_cell_length_c   4.71
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaZnCr2
_chemical_formula_sum   'La1 Zn1 Cr2'
_cell_volume   73.78
_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  La2  1  0.99  0.99  0.99  1.0
  Zn  Zn3  1  0.33  0.33  0.33  1.0
  Cr  Cr0  1  0.66  0.66  0.66  1.0
  Cr  Cr1  1  0.0  0.0  0.0  1.0

data_LaZnCr2
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.71
_cell_length_b   4.71
_cell_length_c   11.53
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   LaZnCr2
_chemical_formula_sum   'La3 Zn3 Cr6'
_cell_volume   221.35
_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  0.01  1.0
  Zn  Zn1  3  0.0  0.0  0.67  1.0
  Cr  Cr2  3  0.0  0.0  0.0  1.0
  Cr  Cr3  3  0.0  0.0  0.34  1.0

La Zn Cr Cr
LaCr2Zn crystallizes in the trigonal R3m space group. La(1) is bonded in a single-bond geometry to one Cr(2), four equivalent Cr(1), and three equivalent Zn(1) atoms. The La(1)-Cr(2) bond length is 0.08 Å. There are three shorter (2.72 Å) and one longer (3.79 Å) La(1)-Cr(1) bond length. All La(1)-Zn(1) bond lengths are 2.72 Å. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to four equivalent La(1), three equivalent Cr(2), and three equivalent Zn(1) atoms to form a mixture of distorted face and corner-sharing CrLa4Zn3Cr3 hexagonal pyramids. All Cr(1)-Cr(2) bond lengths are 2.72 Å. All Cr(1)-Zn(1) bond lengths are 2.72 Å. In the second Cr site, Cr(2) is bonded in a single-bond geometry to one La(1), three equivalent Cr(1), and three equivalent Zn(1) atoms. All Cr(2)-Zn(1) bond lengths are 2.72 Å. Zn(1) is bonded in a distorted q6 geometry to three equivalent La(1), three equivalent Cr(1), and three equivalent Cr(2) atoms.