data_[Ta6Co4H8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Co  1.8800  1.3500  0.7683
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.2965]
_cell_length_b [2.7770]
_cell_length_c [6.6715]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.8959]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ta3(CoH2)2]
_chemical_formula_sum '[Ta6 Co4 H8]'
_cell_volume [167.8886]
_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  4  0.1150  0.5000  0.3915  1
  Ta  Ta1  2  0.0000  0.0000  0.0000  1
  Co  Co2  4  0.1931  0.5000  0.8133  1
  H  H3  4  0.0816  0.0000  0.7196  1
  H  H4  4  0.1719  0.5000  0.0895  1
]