data_[Fe4Te6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Fe  1.8300  1.4000  0.8525
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [6.3629]
_cell_length_b [6.5087]
_cell_length_c [6.7824]
_cell_angle_alpha [61.9094]
_cell_angle_beta [82.6085]
_cell_angle_gamma [71.8406]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Fe2Te3]
_chemical_formula_sum '[Fe4 Te6]'
_cell_volume [235.4037]
_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
[
  Fe  Fe0  1  0.0814  0.1942  0.6601  1
  Fe  Fe1  1  0.1677  0.7279  0.8736  1
  Fe  Fe2  1  0.5281  0.7466  0.6723  1
  Fe  Fe3  1  0.6938  0.4664  0.4719  1
  Te  Te4  1  0.0118  0.9892  0.0734  1
  Te  Te5  1  0.0359  0.3861  0.2381  1
  Te  Te6  1  0.4838  0.9133  0.2564  1
  Te  Te7  1  0.4964  0.1395  0.6932  1
  Te  Te8  1  0.5405  0.4733  0.0902  1
  Te  Te9  1  0.9608  0.6301  0.6375  1
]