data_[Ta4Ni4H12]
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 [C2/m]
_cell_length_a [10.1008]
_cell_length_b [2.9968]
_cell_length_c [5.2180]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.7538]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TaNiH3]
_chemical_formula_sum '[Ta4 Ni4 H12]'
_cell_volume [150.4244]
_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  0.1044  0.5000  0.3565  1.0
  Ni  Ni1  4  0.1472  0.0000  0.8416  1.0
  H  H2  4  0.0164  0.0000  0.1729  1.0
  H  H3  4  0.1691  0.5000  0.0146  1.0
  H  H4  4  0.1984  0.0000  0.5672  1.0
]