data_[Ta8H2C6]
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 [Cmmm]
_cell_length_a [6.3143]
_cell_length_b [8.8988]
_cell_length_c [3.1287]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Ta4HC3]
_chemical_formula_sum '[Ta8 H2 C6]'
_cell_volume [175.8027]
_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  0.0000  0.2479  0.0000  1
  Ta  Ta1  4  0.2478  0.0000  0.5000  1
  H  H2  2  0.0000  0.5000  0.0000  1
  C  C3  4  0.2500  0.2500  0.5000  1
  C  C4  2  0.0000  0.0000  0.0000  1
]