data_[Ta16H2C4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  H  2.2000  0.2500  0.0000
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.4347]
_cell_length_b [7.4321]
_cell_length_c [4.6058]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.4064]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ta8HC2]
_chemical_formula_sum '[Ta16 H2 C4]'
_cell_volume [322.8615]
_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  8  0.1237  0.2188  0.2471  1
  Ta  Ta1  4  0.1139  0.5000  0.7518  1
  Ta  Ta2  4  0.1455  0.0000  0.7362  1
  H  H3  2  0.0000  0.0000  0.0000  1
  C  C4  4  0.1200  0.5000  0.2520  1
]