data_[Rb4Nd2Cu4Se8]
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
  Cu  1.9000  1.3500  0.8200
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.4374]
_cell_length_b [4.1442]
_cell_length_c [8.2617]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.8781]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Rb2Nd(CuSe2)2]
_chemical_formula_sum '[Rb4 Nd2 Cu4 Se8]'
_cell_volume [500.1139]
_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  4  0.1324  0.0000  0.5558  1.0
  Nd  Nd1  2  0.0000  0.0000  0.0000  1.0
  Cu  Cu2  4  0.1797  0.5000  0.9867  1.0
  Se  Se3  4  0.0251  0.5000  0.7660  1.0
  Se  Se4  4  0.2045  0.0000  0.1660  1.0
]