data_[Y8Tc8C8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Tc  1.9000  1.3500  0.7417
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.9061]
_cell_length_b [3.8734]
_cell_length_c [6.9353]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.6713]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [YTcC]
_chemical_formula_sum '[Y8 Tc8 C8]'
_cell_volume [453.6594]
_cell_formula_units_Z [8]
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
[
  Y  Y0  4  0.0996  0.5000  0.8307  1
  Y  Y1  4  0.1011  0.0000  0.3907  1
  Tc  Tc2  4  0.2087  0.0000  0.0762  1
  Tc  Tc3  4  0.2418  0.0000  0.6461  1
  C  C4  4  0.1780  0.5000  0.5572  1
  C  C5  4  0.1881  0.5000  0.1086  1
]