data_LaCr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.12
_cell_length_b   5.12
_cell_length_c   5.12
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaCr3
_chemical_formula_sum   'La2 Cr6'
_cell_volume   134.53
_cell_formula_units_Z   2
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  La6  1  0.56  0.56  0.56  1.0
  La  La7  1  0.0  0.0  0.0  1.0
  Cr  Cr0  1  0.56  0.84  0.0  1.0
  Cr  Cr1  1  0.56  0.28  0.0  1.0
  Cr  Cr2  1  0.84  0.0  0.56  1.0
  Cr  Cr3  1  0.0  0.56  0.84  1.0
  Cr  Cr4  1  0.0  0.56  0.28  1.0
  Cr  Cr5  1  0.28  0.0  0.56  1.0

data_LaCr3
_symmetry_space_group_name_H-M   R3
_cell_length_a   7.25
_cell_length_b   7.25
_cell_length_c   8.87
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   146
_chemical_formula_structural   LaCr3
_chemical_formula_sum   'La6 Cr18'
_cell_volume   403.59
_cell_formula_units_Z   6
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  'x+1/3, y+2/3, z+2/3'
  5  '-y+1/3, x-y+2/3, z+2/3'
  6  '-x+y+1/3, -x+2/3, z+2/3'
  7  'x+2/3, y+1/3, z+1/3'
  8  '-y+2/3, x-y+1/3, z+1/3'
  9  '-x+y+2/3, -x+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  0.0  1.0
  La  La1  3  0.0  0.0  0.56  1.0
  Cr  Cr2  9  0.04  0.24  0.8  1.0
  Cr  Cr3  9  0.05  0.67  0.95  1.0

La La Cr Cr Cr Cr Cr Cr
LaCr3 is beta Plutonium-derived structured and crystallizes in the trigonal R3 space group. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 12-coordinate geometry to six equivalent Cr(1) and six equivalent Cr(2) atoms. There are three shorter (2.67 Å) and three longer (3.22 Å) La(1)-Cr(1) bond lengths. There are three shorter (2.67 Å) and three longer (3.22 Å) La(1)-Cr(2) bond lengths. In the second La site, La(2) is bonded in a 12-coordinate geometry to six equivalent Cr(1) and six equivalent Cr(2) atoms. There are three shorter (2.38 Å) and three longer (2.99 Å) La(2)-Cr(1) bond lengths. There are three shorter (2.67 Å) and three longer (3.22 Å) La(2)-Cr(2) bond lengths. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a 1-coordinate geometry to two equivalent La(1), two equivalent La(2), and one Cr(2) atom. The Cr(1)-Cr(2) bond length is 2.24 Å. In the second Cr site, Cr(2) is bonded in a 3-coordinate geometry to two equivalent La(1), two equivalent La(2), and one Cr(1) atom.