data_[Ta2Ni2Mo2H2]
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
  Mo  2.1600  1.4500  0.7750
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [2.7766]
_cell_length_b [2.7766]
_cell_length_c [12.2076]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [107]
_chemical_formula_structural [TaNiMoH]
_chemical_formula_sum '[Ta2 Ni2 Mo2 H2]'
_cell_volume [94.1176]
_cell_formula_units_Z [2]
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  0.0000  0.0000  0.5387  1
  Ni  Ni1  2  0.0000  0.0000  0.8852  1
  Mo  Mo2  2  0.0000  0.0000  0.2362  1
  H  H3  2  0.0000  0.0000  0.7095  1
]