data_[V4Cu4Te16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  Cu  1.9000  1.3500  0.8200
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.7494]
_cell_length_b [5.2982]
_cell_length_c [8.7955]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.9448]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [VCuTe4]
_chemical_formula_sum '[V4 Cu4 Te16]'
_cell_volume [723.9767]
_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
[
  V  V0  4  0.2057  0.0000  0.2969  1
  Cu  Cu1  4  0.1146  0.0000  0.7029  1
  Te  Te2  4  0.0723  0.0000  0.3822  1
  Te  Te3  4  0.1232  0.0000  0.9990  1
  Te  Te4  4  0.1243  0.5000  0.6540  1
  Te  Te5  4  0.2312  0.5000  0.3550  1
]