data_FeTe2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.45
_cell_length_b   6.45
_cell_length_c   6.45
_cell_angle_alpha   150.56
_cell_angle_beta   140.88
_cell_angle_gamma   49.7
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeTe2Os
_chemical_formula_sum   'Fe1 Te2 Os1'
_cell_volume   82.76
_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
  Fe  Fe0  1  0.0  0.0  0.74  1.0
  Te  Te2  1  0.0  0.0  0.12  1.0
  Te  Te3  1  0.64  0.0  0.54  1.0
  Os  Os1  1  0.0  0.16  0.0  1.0

data_FeTe2Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.28
_cell_length_b   4.32
_cell_length_c   6.45
_cell_angle_alpha   109.56
_cell_angle_beta   104.72
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeTe2Os
_chemical_formula_sum   'Fe1 Te2 Os1'
_cell_volume   82.76
_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
  Fe  Fe0  1  0.0  0.74  0.74  1.0
  Te  Te1  1  0.0  0.12  0.12  1.0
  Te  Te2  1  0.0  0.54  0.9  1.0
  Os  Os3  1  0.84  0.84  0.84  1.0

Fe Te Te Os
Fe Te Te Os 0 3 o o + 0 2 - o o 1 3 o o o 2 3 + o + 
OsFeTe2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one OsFeTe2 cluster. Os(1) is bonded in a distorted single-bond geometry to one Fe(1), one Te(1), and one Te(2) atom. The Os(1)-Fe(1) bond length is 0.96 Å. The Os(1)-Te(1) bond length is 1.75 Å. The Os(1)-Te(2) bond length is 1.53 Å. Fe(1) is bonded in a distorted single-bond geometry to one Os(1) and one Te(2) atom. The Fe(1)-Te(2) bond length is 1.57 Å. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded in a single-bond geometry to one Os(1) atom. In the second Te site, Te(2) is bonded in a 2-coordinate geometry to one Os(1) and one Fe(1) atom.