data_[K4Tc4Ag4S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Tc  1.9000  1.3500  0.7417
  Ag  1.9300  1.6000  1.0867
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [13.8558]
_cell_length_b [3.5994]
_cell_length_c [10.1430]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [KTcAgS3]
_chemical_formula_sum '[K4 Tc4 Ag4 S12]'
_cell_volume [505.8596]
_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
[
  K  K0  4  0.1287  0.7500  0.0056  1
  Tc  Tc1  4  0.0314  0.2500  0.5994  1
  Ag  Ag2  4  0.2078  0.2500  0.2580  1
  S  S3  4  0.0313  0.2500  0.2436  1
  S  S4  4  0.1168  0.7500  0.5000  1
  S  S5  4  0.1686  0.2500  0.7599  1
]