data_BaCr2Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.86
_cell_length_b   5.86
_cell_length_c   5.86
_cell_angle_alpha   147.13
_cell_angle_beta   120.55
_cell_angle_gamma   69.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaCr2Te
_chemical_formula_sum   'Ba1 Cr2 Te1'
_cell_volume   92.61
_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
  Ba  Ba0  1  0.0  0.0  0.81  1.0
  Cr  Cr1  1  0.66  0.0  0.05  1.0
  Cr  Cr2  1  0.0  0.9  0.76  1.0
  Te  Te3  1  0.0  0.0  0.0  1.0

data_BaCr2Te
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.31
_cell_length_b   5.81
_cell_length_c   5.86
_cell_angle_alpha   119.72
_cell_angle_beta   106.43
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaCr2Te
_chemical_formula_sum   'Ba1 Cr2 Te1'
_cell_volume   92.61
_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
  Ba  Ba0  1  0.0  0.81  0.81  1.0
  Cr  Cr1  1  0.0  0.05  0.39  1.0
  Cr  Cr2  1  0.1  0.86  0.86  1.0
  Te  Te3  1  0.0  0.0  0.0  1.0

Ba Cr Cr Te
Ba Cr Cr Te 0 2 o - o 0 3 o o + 1 3 + o o 2 3 o + + 
BaCr2Te crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one BaCr2Te cluster. Ba(1) is bonded in a single-bond geometry to one Cr(2) atom. The Ba(1)-Cr(2) bond length is 0.37 Å. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a distorted single-bond geometry to one Te(1) atom. The Cr(1)-Te(1) bond length is 2.15 Å. In the second Cr site, Cr(2) is bonded in a distorted water-like geometry to one Ba(1) and one Te(1) atom. The Cr(2)-Te(1) bond length is 0.96 Å. Te(1) is bonded in a distorted single-bond geometry to one Cr(1) and one Cr(2) atom.