data_CrOs2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.72
_cell_length_b   4.72
_cell_length_c   4.72
_cell_angle_alpha   131.89
_cell_angle_beta   131.89
_cell_angle_gamma   70.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrOs2Se
_chemical_formula_sum   'Cr1 Os2 Se1'
_cell_volume   57.27
_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
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  Os  Os1  1  0.93  0.0  0.93  1.0
  Os  Os2  1  0.0  0.0  0.86  1.0
  Se  Se3  1  0.0  0.93  0.93  1.0

data_CrOs2Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.85
_cell_length_b   3.85
_cell_length_c   4.72
_cell_angle_alpha   114.06
_cell_angle_beta   114.06
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrOs2Se
_chemical_formula_sum   'Cr1 Os2 Se1'
_cell_volume   57.27
_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
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  Os  Os1  1  0.86  0.86  0.86  1.0
  Os  Os2  1  0.93  0.0  0.0  1.0
  Se  Se3  1  0.0  0.93  0.0  1.0

Cr Os Os Se
Cr Os Os Se 0 1 - o - 0 3 o - - 0 2 o o - 1 2 + o o 2 3 o - o 
CrOs2Se is Indium-like structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one CrOs2Se cluster. Cr(1) is bonded in an L-shaped geometry to one Os(1), one Os(2), and one Se(1) atom. The Cr(1)-Os(1) bond length is 0.28 Å. The Cr(1)-Os(2) bond length is 0.66 Å. The Cr(1)-Se(1) bond length is 0.28 Å. There are two inequivalent Os sites. In the first Os site, Os(1) is bonded in a single-bond geometry to one Cr(1) and one Os(2) atom. The Os(1)-Os(2) bond length is 0.62 Å. In the second Os site, Os(2) is bonded in a 3-coordinate geometry to one Cr(1), one Os(1), and one Se(1) atom. The Os(2)-Se(1) bond length is 0.62 Å. Se(1) is bonded in a single-bond geometry to one Cr(1) and one Os(2) atom.