data_[V4Fe2Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  Fe  1.8300  1.4000  0.8525
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.0607]
_cell_length_b [3.4454]
_cell_length_c [19.1786]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [V2FeTe6]
_chemical_formula_sum '[V4 Fe2 Te12]'
_cell_volume [1259.5078]
_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
[
  V  V0  4  0.1404  0.0000  0.5174  1
  Fe  Fe1  2  0.0000  0.5000  0.5000  1
  Te  Te2  4  0.0761  0.5000  0.6089  1
  Te  Te3  4  0.1037  0.5000  0.4147  1
  Te  Te4  4  0.2391  0.5000  0.5744  1
]