data_[Tc2Se2S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tc  1.9000  1.3500  0.7417
  Se  2.5500  1.1500  1.0133
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [6.7568]
_cell_length_b [11.0426]
_cell_length_c [2.9334]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.6225]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [TcSeS2]
_chemical_formula_sum '[Tc2 Se2 S4]'
_cell_volume [215.1217]
_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
[
  Tc  Tc0  2  0.2179  0.0000  0.9327  1
  Se  Se1  2  0.3653  0.5000  0.7840  1
  S  S2  4  0.3375  0.1428  0.4836  1
]