data_TaAlOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.96
_cell_length_b   6.74
_cell_length_c   2.81
_cell_angle_alpha   82.72
_cell_angle_beta   73.69
_cell_angle_gamma   23.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaAlOs
_chemical_formula_sum   'Ta1 Al1 Os1'
_cell_volume   47.61
_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
  Ta  Ta2  1  0.55  0.34  0.78  1.0
  Al  Al0  1  0.55  0.34  0.03  1.0
  Os  Os1  1  0.55  0.34  0.42  1.0

data_TaAlOs
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.1
_cell_length_b   13.11
_cell_length_c   2.81
_cell_angle_alpha   90.0
_cell_angle_beta   123.46
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TaAlOs
_chemical_formula_sum   'Ta2 Al2 Os2'
_cell_volume   95.22
_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
  Ta  Ta0  2  0.05  0.5  0.33  1.0
  Al  Al1  2  0.05  0.5  0.58  1.0
  Os  Os2  2  0.05  0.5  0.97  1.0

Ta Al Os