data_LaTaCr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.04
_cell_length_b   4.14
_cell_length_c   6.43
_cell_angle_alpha   90.0
_cell_angle_beta   99.52
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaTaCr2
_chemical_formula_sum   'La1 Ta1 Cr2'
_cell_volume   79.75
_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  0.0  0.0  0.0  1.0
  Ta  Ta3  1  0.99  0.0  0.17  1.0
  Cr  Cr0  1  0.76  0.07  0.15  1.0
  Cr  Cr1  1  0.22  0.07  0.19  1.0

data_LaTaCr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.04
_cell_length_b   4.14
_cell_length_c   6.43
_cell_angle_alpha   90.0
_cell_angle_beta   99.52
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaTaCr2
_chemical_formula_sum   'La1 Ta1 Cr2'
_cell_volume   79.75
_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  0.0  0.0  1.0
  Ta  Ta1  1  0.99  0.0  0.17  1.0
  Cr  Cr2  1  0.22  0.07  0.19  1.0
  Cr  Cr3  1  0.76  0.07  0.15  1.0

La Ta Cr Cr
La Ta Cr Cr 0 2 - o o 0 1 - o o 0 3 o o o 1 2 o o o 1 3 + o o 
LaTaCr2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one LaTaCr2 cluster. La(1) is bonded in a 3-coordinate geometry to one Ta(1), one Cr(1), and one Cr(2) atom. The La(1)-Ta(1) bond length is 1.10 Å. The La(1)-Cr(1) bond length is 1.35 Å. The La(1)-Cr(2) bond length is 1.32 Å. Ta(1) is bonded in a T-shaped geometry to one La(1), one Cr(1), and one Cr(2) atom. The Ta(1)-Cr(1) bond length is 0.75 Å. The Ta(1)-Cr(2) bond length is 0.75 Å. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a distorted single-bond geometry to one La(1) and one Ta(1) atom. In the second Cr site, Cr(2) is bonded in a 2-coordinate geometry to one La(1) and one Ta(1) atom.