data_[Cs4V4Te16]
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
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.6887]
_cell_length_b [8.6461]
_cell_length_c [5.9734]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.9244]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CsVTe4]
_chemical_formula_sum '[Cs4 V4 Te16]'
_cell_volume [908.6816]
_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  0.1845  0.0000  0.1930  1.0
  V  V1  4  0.0154  0.5000  0.2857  1.0
  Te  Te2  8  0.0996  0.3031  0.6155  1.0
  Te  Te3  4  0.0000  0.2501  0.0000  1.0
  Te  Te4  4  0.1700  0.5000  0.2628  1.0
]