data_[Cs4V4Fe4Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  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 [Cmcm]
_cell_length_a [3.9932]
_cell_length_b [18.1319]
_cell_length_c [10.1408]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [CsVFeTe3]
_chemical_formula_sum '[Cs4 V4 Fe4 Te12]'
_cell_volume [734.2365]
_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
[
  Cs  Cs0  4  0.0000  0.2492  0.2500  1
  V  V1  4  0.0000  0.4741  0.7500  1
  Fe  Fe2  4  0.0000  0.0000  0.0000  1
  Te  Te3  8  0.0000  0.3931  0.5452  1
  Te  Te4  4  0.0000  0.0668  0.7500  1
]