data_[Tc4Se2S6]
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 [19.8675]
_cell_length_b [3.0644]
_cell_length_c [6.0036]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.2879]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Tc2SeS3]
_chemical_formula_sum '[Tc4 Se2 S6]'
_cell_volume [365.5086]
_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  0.0015  0.5000  0.6061  1
  Tc  Tc1  2  0.0021  0.0000  0.0394  1
  Se  Se2  2  0.4246  0.0000  0.2589  1
  S  S3  2  0.0681  0.5000  0.2592  1
  S  S4  2  0.0814  0.0000  0.7462  1
  S  S5  2  0.4222  0.5000  0.7462  1
]