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 [C2/m]
_cell_length_a [9.0241]
_cell_length_b [5.6852]
_cell_length_c [4.9146]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.3227]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TaHOs3]
_chemical_formula_sum '[Ta4 H4 Os12]'
_cell_volume [252.1365]
_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  4  0.1286  0.0000  0.8344  1.0
  Os  Os1  8  0.1221  0.2558  0.3225  1.0
  Os  Os2  4  0.1195  0.5000  0.8425  1.0
  H  H3  4  0.2337  0.0000  0.4609  1.0
]