data_SrNbCr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.45
_cell_length_b   5.45
_cell_length_c   5.45
_cell_angle_alpha   146.52
_cell_angle_beta   121.74
_cell_angle_gamma   68.89
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrNbCr2
_chemical_formula_sum   'Sr1 Nb1 Cr2'
_cell_volume   75.04
_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
  Sr  Sr3  1  0.0  0.0  0.0  1.0
  Nb  Nb2  1  0.0  0.0  0.5  1.0
  Cr  Cr0  1  0.57  0.0  0.5  1.0
  Cr  Cr1  1  0.0  0.66  1.0  1.0

data_SrNbCr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.14
_cell_length_b   5.31
_cell_length_c   5.45
_cell_angle_alpha   119.13
_cell_angle_beta   106.74
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrNbCr2
_chemical_formula_sum   'Sr1 Nb1 Cr2'
_cell_volume   75.04
_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
  Sr  Sr0  1  0.0  0.0  0.0  1.0
  Nb  Nb1  1  0.0  0.5  0.5  1.0
  Cr  Cr2  1  0.0  0.5  0.93  1.0
  Cr  Cr3  1  0.34  0.34  0.34  1.0

Sr Nb Cr Cr
Sr Nb Cr Cr 0 3 o - - 0 2 o o o 0 2 - o - 1 3 o - - 1 2 - o o 2 3 o - - 2 3 + o o 
SrNbCr2 crystallizes in the triclinic P1 space group. Sr(1) is bonded in a 1-coordinate geometry to one Nb(1), one Cr(2), and two equivalent Cr(1) atoms. The Sr(1)-Nb(1) bond length is 2.74 Å. The Sr(1)-Cr(2) bond length is 1.86 Å. There is one shorter (2.48 Å) and one longer (2.87 Å) Sr(1)-Cr(1) bond length. Nb(1) is bonded in a 4-coordinate geometry to one Sr(1), one Cr(1), and two equivalent Cr(2) atoms. The Nb(1)-Cr(1) bond length is 2.35 Å. There is one shorter (1.56 Å) and one longer (1.99 Å) Nb(1)-Cr(2) bond length. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a 3-coordinate geometry to two equivalent Sr(1) and one Nb(1) atom. In the second Cr site, Cr(2) is bonded in a 3-coordinate geometry to one Sr(1) and two equivalent Nb(1) atoms.