data_TaIrOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.79
_cell_length_b   4.79
_cell_length_c   4.84
_cell_angle_alpha   99.8
_cell_angle_beta   99.8
_cell_angle_gamma   33.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaIrOs2
_chemical_formula_sum   'Ta1 Ir1 Os2'
_cell_volume   61.14
_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  Ta3  1  0.0  0.0  0.0  1.0
  Ir  Ir0  1  0.15  0.0  0.38  1.0
  Os  Os1  1  0.67  0.0  0.27  1.0
  Os  Os2  1  0.64  0.0  0.49  1.0

data_TaIrOs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.8
_cell_length_b   4.79
_cell_length_c   4.84
_cell_angle_alpha   99.8
_cell_angle_beta   90.0
_cell_angle_gamma   106.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaIrOs2
_chemical_formula_sum   'Ta1 Ir1 Os2'
_cell_volume   61.14
_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  Ta0  1  0.0  0.0  0.0  1.0
  Os  Os1  1  0.0  0.33  0.73  1.0
  Os  Os2  1  0.0  0.36  0.51  1.0
  Ir  Ir3  1  0.0  0.85  0.62  1.0

Ta Ir Os Os