data_[Ta24Te4Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [C2/m]
_cell_length_a [14.5069]
_cell_length_b [4.8106]
_cell_length_c [10.9744]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.6604]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ta6TeSe2]
_chemical_formula_sum '[Ta24 Te4 Se8]'
_cell_volume [765.8215]
_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
[
  Ta  Ta0  4  0.0821  0.0000  0.7855  1.0
  Ta  Ta1  4  0.0828  0.5000  0.9322  1.0
  Ta  Ta2  4  0.0834  0.0000  0.0734  1.0
  Ta  Ta3  4  0.0855  0.5000  0.2186  1.0
  Ta  Ta4  4  0.2492  0.0000  0.9309  1.0
  Ta  Ta5  4  0.2493  0.5000  0.7835  1.0
  Te  Te6  4  0.0851  0.0000  0.3645  1.0
  Se  Se7  4  0.0822  0.5000  0.6741  1.0
  Se  Se8  4  0.2464  0.0000  0.6715  1.0
]