data_[Fe10Te6]
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 [Cmmm]
_cell_length_a [6.4206]
_cell_length_b [9.5465]
_cell_length_c [4.1769]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Fe5Te3]
_chemical_formula_sum '[Fe10 Te6]'
_cell_volume [256.0212]
_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  4  0.2452  0.0000  0.5000  1
  Fe  Fe1  4  0.2500  0.2500  0.0000  1
  Fe  Fe2  2  0.0000  0.0000  0.0000  1
  Te  Te3  4  0.0000  0.2063  0.5000  1
  Te  Te4  2  0.0000  0.5000  0.0000  1
]