data_[Rb4Nd8Cu8Se18]
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 [14.6702]
_cell_length_b [4.2047]
_cell_length_c [16.9574]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.9033]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Rb2Nd4Cu4Se9]
_chemical_formula_sum '[Rb4 Nd8 Cu8 Se18]'
_cell_volume [989.5903]
_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  0.0292  0.5000  0.2701  1
  Nd  Nd1  4  0.1554  0.0000  0.5553  1
  Nd  Nd2  4  0.2305  0.5000  0.1024  1
  Cu  Cu3  4  0.0751  0.0000  0.9716  1
  Cu  Cu4  4  0.2425  0.5000  0.7283  1
  Se  Se5  4  0.1037  0.0000  0.1272  1
  Se  Se6  4  0.1327  0.5000  0.9233  1
  Se  Se7  4  0.1518  0.0000  0.7238  1
  Se  Se8  4  0.1981  0.0000  0.3940  1
  Se  Se9  2  0.0000  0.5000  0.5000  1
]