data_GaBiOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.81
_cell_length_b   6.81
_cell_length_c   6.81
_cell_angle_alpha   154.79
_cell_angle_beta   144.91
_cell_angle_gamma   43.69
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaBiOs2
_chemical_formula_sum   'Ga1 Bi1 Os2'
_cell_volume   77.04
_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  0.08  1.0
  Bi  Bi0  1  0.49  0.0  0.76  1.0
  Os  Os2  1  0.49  0.0  0.99  1.0
  Os  Os3  1  0.0  0.0  0.13  1.0

data_GaBiOs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.97
_cell_length_b   4.1
_cell_length_c   6.81
_cell_angle_alpha   107.54
_cell_angle_beta   102.6
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaBiOs2
_chemical_formula_sum   'Ga1 Bi1 Os2'
_cell_volume   77.04
_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  0.08  0.08  1.0
  Bi  Bi1  1  0.0  0.76  0.28  1.0
  Os  Os2  1  0.0  0.13  0.13  1.0
  Os  Os3  1  0.0  0.99  0.5  1.0

Ga Bi Os Os
Ga Bi Os Os 0 3 o o o 1 2 o o o 