data_[Ta2H2Os6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  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 [4.9519]
_cell_length_b [5.3239]
_cell_length_c [5.6327]
_cell_angle_alpha [105.1755]
_cell_angle_beta [90.1143]
_cell_angle_gamma [117.2674]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [TaHOs3]
_chemical_formula_sum '[Ta2 H2 Os6]'
_cell_volume [126.1005]
_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
[
  Ta  Ta0  2  0.4681  0.2363  0.3030  1.0
  H  H1  2  0.0123  0.0030  0.7520  1.0
  Os  Os2  2  0.0336  0.7324  0.9322  1.0
  Os  Os3  2  0.0426  0.7496  0.4333  1.0
  Os  Os4  2  0.4687  0.2568  0.8072  1.0
]