data_[Cs2K2Tc2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  K  0.8200  2.2000  1.5200
  Tc  1.9000  1.3500  0.7417
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.3249]
_cell_length_b [8.0123]
_cell_length_c [9.0102]
_cell_angle_alpha [83.8115]
_cell_angle_beta [66.0944]
_cell_angle_gamma [62.9662]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsKTcSe3]
_chemical_formula_sum '[Cs2 K2 Tc2 Se6]'
_cell_volume [428.7156]
_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
[
  Cs  Cs0  2  0.1055  0.5874  0.6871  1
  K  K1  2  0.2827  0.8092  0.1313  1
  Tc  Tc2  2  0.4436  0.9398  0.6634  1
  Se  Se3  2  0.2157  0.1608  0.8948  1
  Se  Se4  2  0.2357  0.0033  0.4949  1
  Se  Se5  2  0.4450  0.3708  0.2579  1
]