data_[Rb2Nd2Ag2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Nd  1.1400  1.8500  1.2765
  Ag  1.9300  1.6000  1.0867
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.4323]
_cell_length_b [4.3102]
_cell_length_c [10.1880]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.1440]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [RbNdAgSe3]
_chemical_formula_sum '[Rb2 Nd2 Ag2 Se6]'
_cell_volume [393.6006]
_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  0.2084  0.7500  0.2402  1.0
  Nd  Nd1  2  0.3228  0.2500  0.8549  1.0
  Ag  Ag2  2  0.0823  0.7500  0.6033  1.0
  Se  Se3  2  0.1116  0.7500  0.8695  1.0
  Se  Se4  2  0.2144  0.2500  0.5407  1.0
  Se  Se5  2  0.4635  0.2500  0.1586  1.0
]