data_Cr2OsSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.48
_cell_length_b   4.48
_cell_length_c   2.92
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   105.67
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2OsSe
_chemical_formula_sum   'Cr2 Os1 Se1'
_cell_volume   56.39
_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  0.35  0.78  0.46  1.0
  Cr  Cr1  1  0.35  0.22  0.46  1.0
  Os  Os2  1  0.71  0.0  0.0  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

data_Cr2OsSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.92
_cell_length_b   4.48
_cell_length_c   4.48
_cell_angle_alpha   105.67
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2OsSe
_chemical_formula_sum   'Cr2 Os1 Se1'
_cell_volume   56.39
_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  0.46  0.35  0.22  1.0
  Cr  Cr1  1  0.46  0.35  0.78  1.0
  Os  Os2  1  0.0  0.71  0.0  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

Cr Cr Os Se
Cr Cr Os Se 0 3 o + o 0 1 o + o 0 2 o + o 0 2 o + + 1 3 o o o 1 3 o o + 1 2 o o o 2 3 + o o 
Cr2OsSe crystallizes in the triclinic P1 space group. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a 6-coordinate geometry to two equivalent Cr(2), two equivalent Os(1), and two equivalent Se(1) atoms. There is one shorter (1.93 Å) and one longer (2.54 Å) Cr(1)-Cr(2) bond length. There is one shorter (2.10 Å) and one longer (2.26 Å) Cr(1)-Os(1) bond length. There is one shorter (2.46 Å) and one longer (2.60 Å) Cr(1)-Se(1) bond length. In the second Cr site, Cr(2) is bonded in a 2-coordinate geometry to two equivalent Cr(1), two equivalent Os(1), and two equivalent Se(1) atoms. There is one shorter (2.46 Å) and one longer (2.60 Å) Cr(2)-Os(1) bond length. There is one shorter (2.10 Å) and one longer (2.26 Å) Cr(2)-Se(1) bond length. Os(1) is bonded in a 5-coordinate geometry to two equivalent Cr(1), two equivalent Cr(2), and one Se(1) atom. The Os(1)-Se(1) bond length is 1.32 Å. Se(1) is bonded in a 5-coordinate geometry to two equivalent Cr(1), two equivalent Cr(2), and one Os(1) atom.