data_[Hf6Ta6Os9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Ta  1.5000  1.4500  0.8200
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.5016]
_cell_length_b [4.5016]
_cell_length_c [21.8721]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Hf2Ta2Os3]
_chemical_formula_sum '[Hf6 Ta6 Os9]'
_cell_volume [383.8424]
_cell_formula_units_Z [3]
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
[
  Hf  Hf0  3  0.0000  0.0000  0.2462  1
  Hf  Hf1  3  0.0000  0.0000  0.7549  1
  Ta  Ta2  3  0.0000  0.0000  0.5029  1
  Ta  Ta3  3  0.0000  0.0000  0.9976  1
  Os  Os4  3  0.0000  0.0000  0.1236  1
  Os  Os5  3  0.0000  0.0000  0.3744  1
  Os  Os6  3  0.0000  0.0000  0.6254  1
]