data_GaCuOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.58
_cell_length_b   8.58
_cell_length_c   8.58
_cell_angle_alpha   18.59
_cell_angle_beta   18.59
_cell_angle_gamma   18.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaCuOs2
_chemical_formula_sum   'Ga1 Cu1 Os2'
_cell_volume   56.02
_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
  Ga  Ga1  1  0.0  0.0  0.64  1.0
  Cu  Cu0  1  0.0  0.0  0.0  1.0
  Os  Os2  1  0.0  0.0  0.31  1.0
  Os  Os3  1  0.0  0.0  0.96  1.0

data_GaCuOs2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.8
_cell_length_b   2.77
_cell_length_c   8.58
_cell_angle_alpha   90.0
_cell_angle_beta   100.75
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   GaCuOs2
_chemical_formula_sum   'Ga2 Cu2 Os4'
_cell_volume   112.03
_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
  Ga  Ga0  2  0.0  0.0  0.36  1.0
  Cu  Cu1  2  0.0  0.0  0.0  1.0
  Os  Os2  2  0.0  0.0  0.04  1.0
  Os  Os3  2  0.0  0.0  0.69  1.0

Ga Cu Os Os
Os2CuGa crystallizes in the monoclinic Cm space group. There are two inequivalent Os sites. In the first Os site, Os(1) is bonded in a distorted linear geometry to one Cu(1) and one Ga(1) atom. The Os(1)-Cu(1) bond length is 2.66 Å. The Os(1)-Ga(1) bond length is 2.81 Å. In the second Os site, Os(2) is bonded in a single-bond geometry to one Cu(1) and one Ga(1) atom. The Os(2)-Cu(1) bond length is 0.30 Å. The Os(2)-Ga(1) bond length is 2.81 Å. Cu(1) is bonded in a single-bond geometry to one Os(1) and one Os(2) atom. Ga(1) is bonded to one Os(1), one Os(2), and six equivalent Ga(1) atoms to form a mixture of distorted corner and edge-sharing GaGa6Os2 hexagonal bipyramids. All Ga(1)-Ga(1) bond lengths are 2.77 Å.