data_GaAs2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.36
_cell_length_b   6.36
_cell_length_c   6.36
_cell_angle_alpha   152.8
_cell_angle_beta   141.25
_cell_angle_gamma   47.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaAs2Os
_chemical_formula_sum   'Ga1 As2 Os1'
_cell_volume   73.31
_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
  As  As0  1  0.5  0.0  0.7  1.0
  As  As1  1  0.0  0.11  0.11  1.0
  Os  Os3  1  0.0  0.0  0.81  1.0

data_GaAs2Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.99
_cell_length_b   4.22
_cell_length_c   6.36
_cell_angle_alpha   109.38
_cell_angle_beta   103.6
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaAs2Os
_chemical_formula_sum   'Ga1 As2 Os1'
_cell_volume   73.31
_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
  As  As1  1  0.0  0.7  0.21  1.0
  As  As2  1  0.89  1.0  1.0  1.0
  Os  Os3  1  0.0  0.81  0.81  1.0

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