data_[Cs2V2Ni2Te6]
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
  Ni  1.9100  1.3500  0.7400
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [10.0564]
_cell_length_b [3.8413]
_cell_length_c [10.2772]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.2449]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsVNiTe3]
_chemical_formula_sum '[Cs2 V2 Ni2 Te6]'
_cell_volume [359.0928]
_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
[
  Cs  Cs0  2  0.0046  0.7500  0.2617  1.0
  V  V1  2  0.4694  0.7500  0.1804  1.0
  Ni  Ni2  2  0.4835  0.2500  0.3974  1.0
  Te  Te3  2  0.2688  0.2500  0.1518  1.0
  Te  Te4  2  0.3328  0.2500  0.5520  1.0
  Te  Te5  2  0.3564  0.7500  0.8781  1.0
]