data_[Ta2Tc2Te8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Tc  1.9000  1.3500  0.7417
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [14.7676]
_cell_length_b [3.6191]
_cell_length_c [6.3909]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.7895]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [TaTcTe4]
_chemical_formula_sum '[Ta2 Tc2 Te8]'
_cell_volume [323.3676]
_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
[
  Ta  Ta0  2  0.4924  0.5000  0.0652  1
  Tc  Tc1  2  0.0080  0.5000  0.4379  1
  Te  Te2  2  0.1017  0.5000  0.8953  1
  Te  Te3  2  0.1457  0.0000  0.4447  1
  Te  Te4  2  0.3514  0.0000  0.0652  1
  Te  Te5  2  0.4006  0.5000  0.5916  1
]