data_GaMoOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.9
_cell_length_b   2.9
_cell_length_c   6.99
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaMoOs2
_chemical_formula_sum   'Ga1 Mo1 Os2'
_cell_volume   58.78
_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  Ga0  1  0.0  0.0  0.0  1.0
  Mo  Mo1  1  0.0  0.0  0.5  1.0
  Os  Os2  1  0.45  0.45  0.31  1.0
  Os  Os3  1  0.45  0.45  0.69  1.0

data_GaMoOs2
_symmetry_space_group_name_H-M   Amm2
_cell_length_a   6.99
_cell_length_b   4.1
_cell_length_c   4.1
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   38
_chemical_formula_structural   GaMoOs2
_chemical_formula_sum   'Ga2 Mo2 Os4'
_cell_volume   117.57
_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, y, z'
  4  'x, -y, z'
  5  'x, y+1/2, z+1/2'
  6  '-x, -y+1/2, z+1/2'
  7  '-x, y+1/2, z+1/2'
  8  'x, -y+1/2, z+1/2'
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  0.0  1.0
  Mo  Mo1  2  0.5  0.0  0.0  1.0
  Os  Os2  4  0.31  0.0  0.45  1.0

Ga Mo Os Os
MoOs2Ga crystallizes in the monoclinic Cm space group. Mo(1) is bonded in a distorted body-centered cubic geometry to four equivalent Os(1) and four equivalent Os(2) atoms. There are a spread of Mo(1)-Os(1) bond distances ranging from 2.27-2.61 Å. There are a spread of Mo(1)-Os(2) bond distances ranging from 2.27-2.61 Å. There are two inequivalent Os sites. In the first Os site, Os(1) is bonded in a 13-coordinate geometry to four equivalent Mo(1), one Os(2), four equivalent Os(1), and four equivalent Ga(1) atoms. The Os(1)-Os(2) bond length is 2.64 Å. All Os(1)-Os(1) bond lengths are 2.90 Å. There are a spread of Os(1)-Ga(1) bond distances ranging from 2.84-3.12 Å. In the second Os site, Os(2) is bonded in a 13-coordinate geometry to four equivalent Mo(1), one Os(1), four equivalent Os(2), and four equivalent Ga(1) atoms. All Os(2)-Os(2) bond lengths are 2.90 Å. There are a spread of Os(2)-Ga(1) bond distances ranging from 2.87-3.15 Å. Ga(1) is bonded to four equivalent Os(1), four equivalent Os(2), and four equivalent Ga(1) atoms to form a mixture of distorted corner and face-sharing GaGa4Os8 cuboctahedra. All Ga(1)-Ga(1) bond lengths are 2.90 Å.