data_[Hf10Ta2Os12]
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 [Immm]
_cell_length_a [4.5883]
_cell_length_b [6.4730]
_cell_length_c [13.7376]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Hf5TaOs6]
_chemical_formula_sum '[Hf10 Ta2 Os12]'
_cell_volume [408.0086]
_cell_formula_units_Z [2]
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  4  0.0000  0.0000  0.3332  1
  Hf  Hf1  4  0.0000  0.5000  0.3337  1
  Hf  Hf2  2  0.0000  0.5000  0.0000  1
  Ta  Ta3  2  0.0000  0.0000  0.0000  1
  Os  Os4  8  0.0000  0.2481  0.1650  1
  Os  Os5  4  0.0000  0.2538  0.5000  1
]