data_[Rb2Ni2Te2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  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 [9.5627]
_cell_length_b [4.0620]
_cell_length_c [9.6690]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.6209]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [RbNiTeSe3]
_chemical_formula_sum '[Rb2 Ni2 Te2 Se6]'
_cell_volume [367.8743]
_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
[
  Rb  Rb0  2  0.2156  0.7500  0.1740  1
  Ni  Ni1  2  0.4302  0.2500  0.9324  1
  Te  Te2  2  0.1616  0.7500  0.6559  1
  Se  Se3  2  0.1705  0.2500  0.8655  1
  Se  Se4  2  0.1784  0.2500  0.4653  1
  Se  Se5  2  0.4749  0.7500  0.8270  1
]