data_[Ta4Ni4H4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Ni  1.9100  1.3500  0.7400
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [10.2004]
_cell_length_b [2.8875]
_cell_length_c [4.2819]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.6775]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [TaNiH]
_chemical_formula_sum '[Ta4 Ni4 H4]'
_cell_volume [126.1082]
_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  0.1499  0.5000  0.3529  1.0
  Ta  Ta1  2  0.4606  0.5000  0.8868  1.0
  Ni  Ni2  2  0.2464  0.0000  0.8811  1.0
  Ni  Ni3  2  0.3740  0.0000  0.3810  1.0
  H  H4  2  0.1190  0.0000  0.6500  1.0
  H  H5  2  0.4861  0.5000  0.3549  1.0
]