data_La2TaCr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.01
_cell_length_b   5.01
_cell_length_c   5.01
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2TaCr
_chemical_formula_sum   'La2 Ta1 Cr1'
_cell_volume   89.04
_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  0.54  0.54  0.54  1.0
  La  La2  1  0.77  0.77  0.77  1.0
  Ta  Ta3  1  0.32  0.32  0.32  1.0
  Cr  Cr0  1  0.0  0.0  0.0  1.0

data_La2TaCr
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.01
_cell_length_b   5.01
_cell_length_c   12.28
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   La2TaCr
_chemical_formula_sum   'La6 Ta3 Cr3'
_cell_volume   267.11
_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  0.23  1.0
  La  La1  3  0.0  0.0  0.46  1.0
  Ta  Ta2  3  0.0  0.0  0.68  1.0
  Cr  Cr3  3  0.0  0.0  -0.0  1.0

La La Ta Cr
La2TaCr crystallizes in the trigonal R3m space group. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 1-coordinate geometry to four equivalent Ta(1) and three equivalent Cr(1) atoms. There is one shorter (2.80 Å) and three longer (3.17 Å) La(1)-Ta(1) bond lengths. All La(1)-Cr(1) bond lengths are 3.26 Å. In the second La site, La(2) is bonded in a 1-coordinate geometry to three equivalent Ta(1) and four equivalent Cr(1) atoms. All La(2)-Ta(1) bond lengths are 3.26 Å. There is one shorter (2.80 Å) and three longer (3.17 Å) La(2)-Cr(1) bond lengths. Ta(1) is bonded in a 10-coordinate geometry to three equivalent La(2), four equivalent La(1), and three equivalent Cr(1) atoms. All Ta(1)-Cr(1) bond lengths are 2.90 Å. Cr(1) is bonded in a 10-coordinate geometry to three equivalent La(1), four equivalent La(2), and three equivalent Ta(1) atoms.