data_[Cs4Na4Tc4Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Na  0.9300  1.8000  1.1600
  Tc  1.9000  1.3500  0.7417
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [16.0461]
_cell_length_b [3.9444]
_cell_length_c [10.8582]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [CsNaTcSe3]
_chemical_formula_sum '[Cs4 Na4 Tc4 Se12]'
_cell_volume [687.2357]
_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
[
  Cs  Cs0  4  0.2383  0.7500  0.4434  1
  Na  Na1  4  0.0254  0.2500  0.4075  1
  Tc  Tc2  4  0.0128  0.7500  0.1527  1
  Se  Se3  4  0.0756  0.7500  0.9346  1
  Se  Se4  4  0.0874  0.2500  0.6629  1
  Se  Se5  4  0.1175  0.2500  0.2019  1
]