data_[K12Ta4Te8Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ta  1.5000  1.4500  0.8200
  Te  2.1000  1.4000  1.2933
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Fmm2]
_cell_length_a [11.1655]
_cell_length_b [12.4770]
_cell_length_c [8.5595]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [42]
_chemical_formula_structural [K3Ta(TeSe)2]
_chemical_formula_sum '[K12 Ta4 Te8 Se8]'
_cell_volume [1192.4398]
_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  8  0.2500  0.2500  0.4435  1
  K  K1  4  0.0000  0.0000  0.5277  1
  Ta  Ta2  4  0.0000  0.0000  0.0130  1
  Te  Te3  8  0.0000  0.1780  0.1872  1
  Se  Se4  8  0.1737  0.0000  0.8490  1
]