data_[Cs12V4Te12]
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 [P2_1/c]
_cell_length_a [9.2631]
_cell_length_b [14.9103]
_cell_length_c [12.2312]
_cell_angle_alpha [90.0000]
_cell_angle_beta [126.9729]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Cs3VTe3]
_chemical_formula_sum '[Cs12 V4 Te12]'
_cell_volume [1349.6400]
_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  0.1261  0.1936  0.4072  1
  Cs  Cs1  4  0.3591  0.5723  0.1119  1
  Cs  Cs2  4  0.3813  0.6299  0.5201  1
  V  V3  4  0.0663  0.5570  0.6591  1
  Te  Te4  4  0.1142  0.0515  0.7389  1
  Te  Te5  4  0.1363  0.1051  0.1068  1
  Te  Te6  4  0.3497  0.6635  0.8109  1
]