data_[V2Ni4Te4Se2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  Ni  1.9100  1.3500  0.7400
  Te  2.1000  1.4000  1.2933
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.3197]
_cell_length_b [3.6046]
_cell_length_c [10.1716]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.8407]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [VNi2Te2Se]
_chemical_formula_sum '[V2 Ni4 Te4 Se2]'
_cell_volume [253.9946]
_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  2  0.2143  0.7500  0.7030  1
  Ni  Ni1  2  0.0443  0.7500  0.4339  1
  Ni  Ni2  2  0.4054  0.2500  0.9097  1
  Te  Te3  2  0.2944  0.2500  0.5135  1
  Te  Te4  2  0.4098  0.2500  0.1650  1
  Se  Se5  2  0.0680  0.2500  0.8109  1
]