data_[Hf2Ta2Os4]
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 [Pmma]
_cell_length_a [4.4827]
_cell_length_b [3.3319]
_cell_length_c [8.9534]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [51]
_chemical_formula_structural [HfTaOs2]
_chemical_formula_sum '[Hf2 Ta2 Os4]'
_cell_volume [133.7264]
_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  2  0.2500  0.5000  0.6275  1
  Ta  Ta1  2  0.2500  0.5000  0.1218  1
  Os  Os2  2  0.2500  0.0000  0.3696  1
  Os  Os3  2  0.2500  0.0000  0.8799  1
]