data_GaOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.93
_cell_length_b   4.93
_cell_length_c   4.93
_cell_angle_alpha   102.68
_cell_angle_beta   102.68
_cell_angle_gamma   124.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaOs2
_chemical_formula_sum   'Ga2 Os4'
_cell_volume   87.41
_cell_formula_units_Z   2
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  0.15  1.0
  Ga  Ga1  1  0.0  0.0  0.46  1.0
  Os  Os2  1  0.88  0.19  0.31  1.0
  Os  Os3  1  0.19  0.88  0.0  1.0
  Os  Os4  1  0.88  0.96  0.0  1.0
  Os  Os5  1  0.19  0.12  0.31  1.0

data_GaOs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.62
_cell_length_b   4.93
_cell_length_c   4.93
_cell_angle_alpha   77.32
_cell_angle_beta   62.06
_cell_angle_gamma   62.06
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaOs2
_chemical_formula_sum   'Ga2 Os4'
_cell_volume   87.41
_cell_formula_units_Z   2
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  0.54  0.46  0.0  1.0
  Ga  Ga1  1  0.85  0.15  0.0  1.0
  Os  Os2  1  0.81  0.31  0.08  1.0
  Os  Os3  1  0.88  -0.0  0.31  1.0
  Os  Os4  1  0.89  0.31  0.69  1.0
  Os  Os5  1  0.96  -0.0  0.92  1.0

Ga Ga Os Os Os Os
Ga Ga Os Os Os Os 0 4 - - o 0 5 o o o 0 1 o o o 0 2 - o o 0 3 o - o 1 2 - o o 1 5 o o o 2 5 + o o 2 4 o - o 3 5 o + o 3 4 - o o 