data_[Rb2Nd2Ge2Se8]
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
  Ge  2.0100  1.2500  0.7700
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.9051]
_cell_length_b [7.0783]
_cell_length_c [9.5512]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.8569]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [RbNdGeSe4]
_chemical_formula_sum '[Rb2 Nd2 Ge2 Se8]'
_cell_volume [444.3374]
_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  0.2555  0.2500  0.0613  1.0
  Nd  Nd1  2  0.2304  0.2500  0.5517  1.0
  Ge  Ge2  2  0.2182  0.7500  0.3269  1.0
  Se  Se3  4  0.0126  0.5099  0.7108  1.0
  Se  Se4  2  0.4187  0.7500  0.1673  1.0
  Se  Se5  2  0.4232  0.7500  0.5766  1.0
]