data_[Ta4Fe4Te8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Fe  1.8300  1.4000  0.8525
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [8.6260]
_cell_length_b [6.2883]
_cell_length_c [7.9494]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.0830]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [TaFeTe2]
_chemical_formula_sum '[Ta4 Fe4 Te8]'
_cell_volume [390.5365]
_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  0.4807  0.0252  0.6822  1.0
  Fe  Fe1  4  0.4048  0.6477  0.4459  1.0
  Te  Te2  4  0.2029  0.7432  0.6009  1.0
  Te  Te3  4  0.2761  0.2445  0.8517  1.0
]