data_Zr2GaOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.8
_cell_length_b   4.8
_cell_length_c   4.8
_cell_angle_alpha   123.52
_cell_angle_beta   123.52
_cell_angle_gamma   84.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2GaOs
_chemical_formula_sum   'Zr2 Ga1 Os1'
_cell_volume   73.77
_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
  Zr  Zr2  1  0.0  0.27  0.79  1.0
  Zr  Zr3  1  0.27  0.0  0.79  1.0
  Ga  Ga0  1  0.0  0.0  0.0  1.0
  Os  Os1  1  0.0  0.0  0.57  1.0

data_Zr2GaOs
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.43
_cell_length_b   6.43
_cell_length_c   4.8
_cell_angle_alpha   90.0
_cell_angle_beta   132.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Zr2GaOs
_chemical_formula_sum   'Zr4 Ga2 Os2'
_cell_volume   147.54
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Zr  Zr0  4  0.35  0.14  0.49  1.0
  Ga  Ga1  2  0.0  0.0  0.0  1.0
  Os  Os2  2  0.43  0.0  0.43  1.0

Zr Zr Ga Os
Zr Zr Ga Os 0 3 o o o 0 2 o o + 1 3 o o o 1 2 o o + 2 3 o o - 
Zr2OsGa crystallizes in the monoclinic Cm space group. Zr(1) is bonded in a single-bond geometry to one Os(1) and two equivalent Ga(1) atoms. The Zr(1)-Os(1) bond length is 1.14 Å. There is one shorter (2.07 Å) and one longer (3.05 Å) Zr(1)-Ga(1) bond length. Os(1) is bonded in a water-like geometry to two equivalent Zr(1) and two equivalent Ga(1) atoms. There is one shorter (2.07 Å) and one longer (2.74 Å) Os(1)-Ga(1) bond length. Ga(1) is bonded in a 6-coordinate geometry to four equivalent Zr(1) and two equivalent Os(1) atoms.