data_[Y8Tc4C8]
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 [Pnma]
_cell_length_a [6.5832]
_cell_length_b [5.1173]
_cell_length_c [9.9110]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Y2TcC2]
_chemical_formula_sum '[Y8 Tc4 C8]'
_cell_volume [333.8850]
_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
[
  Y  Y0  4  0.0332  0.7500  0.7159  1
  Y  Y1  4  0.1778  0.7500  0.0568  1
  Tc  Tc2  4  0.2196  0.7500  0.3649  1
  C  C3  4  0.0481  0.2500  0.7411  1
  C  C4  4  0.1802  0.2500  0.0470  1
]