data_[Sr4Li2Tc2S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Li  0.9800  1.4500  0.9000
  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 [12.3596]
_cell_length_b [5.5676]
_cell_length_c [7.5949]
_cell_angle_alpha [90.0000]
_cell_angle_beta [127.3005]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr2LiTcS6]
_chemical_formula_sum '[Sr4 Li2 Tc2 S12]'
_cell_volume [415.7318]
_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  0.2382  0.5000  0.2461  1
  Li  Li1  2  0.0000  0.0000  0.0000  1
  Tc  Tc2  2  0.0000  0.5000  0.5000  1
  S  S3  8  0.0529  0.2285  0.7867  1
  S  S4  4  0.2348  0.5000  0.6369  1
]