data_[Ta12Co4H24]
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 [Cmc2_1]
_cell_length_a [8.1509]
_cell_length_b [9.0839]
_cell_length_c [4.3945]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ta3CoH6]
_chemical_formula_sum '[Ta12 Co4 H24]'
_cell_volume [325.3804]
_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  8  0.2225  0.1213  0.9601  1.0
  Ta  Ta1  4  0.0000  0.3714  0.9656  1.0
  Co  Co2  4  0.0000  0.1458  0.4701  1.0
  H  H3  8  0.1260  0.2554  0.6740  1.0
  H  H4  8  0.1371  0.4984  0.2135  1.0
  H  H5  4  0.0000  0.0197  0.7473  1.0
  H  H6  4  0.0000  0.1782  0.1074  1.0
]