data_[Tc4B8Se24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tc  1.9000  1.3500  0.7417
  B  2.0400  0.8500  0.4100
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [11.6780]
_cell_length_b [10.2891]
_cell_length_c [6.2162]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.3721]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Tc(BSe3)2]
_chemical_formula_sum '[Tc4 B8 Se24]'
_cell_volume [732.2487]
_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
[
  Tc  Tc0  4  0.0000  0.1269  0.2500  1
  B  B1  8  0.2100  0.4310  0.3436  1
  Se  Se2  8  0.1092  0.0753  0.6230  1
  Se  Se3  8  0.1410  0.4258  0.6256  1
  Se  Se4  8  0.1547  0.2583  0.1709  1
]