data_GaB2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.11
_cell_length_b   4.11
_cell_length_c   4.11
_cell_angle_alpha   127.8
_cell_angle_beta   127.8
_cell_angle_gamma   76.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaB2Os
_chemical_formula_sum   'Ga1 B2 Os1'
_cell_volume   41.93
_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  Ga2  1  0.0  0.0  0.0  1.0
  B  B0  1  0.0  0.81  0.61  1.0
  B  B1  1  0.81  0.0  0.61  1.0
  Os  Os3  1  0.0  0.0  0.21  1.0

data_GaB2Os
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.11
_cell_length_b   5.11
_cell_length_c   4.11
_cell_angle_alpha   90.0
_cell_angle_beta   128.47
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   GaB2Os
_chemical_formula_sum   'Ga2 B4 Os2'
_cell_volume   83.87
_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  0.0  1.0
  B  B1  4  0.3  0.1  0.2  1.0
  Os  Os2  2  0.29  0.5  0.79  1.0

Ga B B Os
Ga B B Os 0 3 o o o 1 2 - + o 