data_TaZnOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.09
_cell_length_b   5.09
_cell_length_c   5.09
_cell_angle_alpha   144.42
_cell_angle_beta   125.61
_cell_angle_gamma   66.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaZnOs2
_chemical_formula_sum   'Ta1 Zn1 Os2'
_cell_volume   61.45
_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  0.0  0.0  0.25  1.0
  Zn  Zn3  1  0.0  0.0  0.0  1.0
  Os  Os0  1  0.0  0.33  0.1  1.0
  Os  Os1  1  0.55  0.0  0.15  1.0

data_TaZnOs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.11
_cell_length_b   4.65
_cell_length_c   5.09
_cell_angle_alpha   117.2
_cell_angle_beta   107.79
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaZnOs2
_chemical_formula_sum   'Ta1 Zn1 Os2'
_cell_volume   61.45
_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  0.75  0.75  0.75  1.0
  Zn  Zn1  1  0.0  0.0  0.0  1.0
  Os  Os2  1  0.41  0.85  0.41  1.0
  Os  Os3  1  0.9  0.22  0.22  1.0

Ta Zn Os Os