data_[Hf6H1Os1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  H  2.2000  0.2500  0.0000
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.9214]
_cell_length_b [5.7441]
_cell_length_c [5.7836]
_cell_angle_alpha [96.2238]
_cell_angle_beta [114.2848]
_cell_angle_gamma [90.1514]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Hf6HOs]
_chemical_formula_sum '[Hf6 H1 Os1]'
_cell_volume [147.9506]
_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
[
  Hf  Hf0  2  0.0736  0.7733  0.6324  1
  Hf  Hf1  2  0.2413  0.3552  0.9863  1
  Hf  Hf2  2  0.3840  0.8790  0.2452  1
  H  H3  1  0.0000  0.0000  0.0000  1
  Os  Os4  1  0.5000  0.5000  0.5000  1
]