data_[Tc4Te4S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tc  1.9000  1.3500  0.7417
  Te  2.1000  1.4000  1.2933
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [8.8723]
_cell_length_b [5.7409]
_cell_length_c [5.7693]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.1720]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [TcTeS]
_chemical_formula_sum '[Tc4 Te4 S4]'
_cell_volume [287.2542]
_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  0.0482  0.6750  0.8605  1
  Te  Te1  4  0.3216  0.6653  0.6347  1
  S  S2  4  0.1481  0.1972  0.4368  1
]