data_[Ta4H4W4]
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
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.3418]
_cell_length_b [2.9739]
_cell_length_c [5.4763]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.5837]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TaHW]
_chemical_formula_sum '[Ta4 H4 W4]'
_cell_volume [151.4166]
_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  0.1323  0.0000  0.8634  1
  H  H1  4  0.0729  0.0000  0.1964  1
  W  W2  4  0.1308  0.5000  0.3884  1
]