data_[Sr4Ti2Tc2S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Ti  1.5400  1.4000  0.8517
  Tc  1.9000  1.3500  0.7417
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.5587]
_cell_length_b [6.6573]
_cell_length_c [6.8379]
_cell_angle_alpha [90.0000]
_cell_angle_beta [126.0206]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr2TiTcS6]
_chemical_formula_sum '[Sr4 Ti2 Tc2 S12]'
_cell_volume [425.5765]
_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
[
  Sr  Sr0  4  0.2492  0.5000  0.2383  1
  Ti  Ti1  2  0.0000  0.5000  0.5000  1
  Tc  Tc2  2  0.0000  0.0000  0.0000  1
  S  S3  8  0.0468  0.2493  0.7976  1
  S  S4  4  0.2497  0.0000  0.3343  1
]