data_[Ta4H4Os12]
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 [Cm]
_cell_length_a [9.0161]
_cell_length_b [5.6916]
_cell_length_c [4.9170]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0797]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [TaHOs3]
_chemical_formula_sum '[Ta4 H4 Os12]'
_cell_volume [252.3193]
_cell_formula_units_Z [4]
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  0.2014  0.5000  0.6145  1.0
  Ta  Ta1  2  0.4419  0.0000  0.9565  1.0
  Os  Os2  4  0.1939  0.2523  0.1106  1.0
  Os  Os3  4  0.4463  0.2544  0.4701  1.0
  H  H4  2  0.0647  0.0000  0.2864  1.0
  Os  Os5  2  0.1915  0.0000  0.6375  1.0
  H  H6  2  0.3402  0.0000  0.3269  1.0
  Os  Os7  2  0.4460  0.5000  0.9502  1.0
]