data_[Rb2Zr2Ni2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Zr  1.3300  1.5500  0.8600
  Ni  1.9100  1.3500  0.7400
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.2654]
_cell_length_b [3.8633]
_cell_length_c [9.8024]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.0393]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [RbZrNiSe3]
_chemical_formula_sum '[Rb2 Zr2 Ni2 Se6]'
_cell_volume [317.8991]
_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  0.2255  0.7500  0.2475  1
  Zr  Zr1  2  0.3073  0.2500  0.8344  1
  Ni  Ni2  2  0.0889  0.7500  0.5976  1
  Se  Se3  2  0.1166  0.7500  0.8561  1
  Se  Se4  2  0.1981  0.2500  0.5333  1
  Se  Se5  2  0.4738  0.2500  0.1504  1
]