data_[Rb2Nd2Cu2Se6]
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 [P2_1/m]
_cell_length_a [9.5148]
_cell_length_b [4.2110]
_cell_length_c [9.9115]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.8140]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [RbNdCuSe3]
_chemical_formula_sum '[Rb2 Nd2 Cu2 Se6]'
_cell_volume [378.0810]
_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  0.1999  0.2500  0.2384  1.0
  Nd  Nd1  2  0.3276  0.7500  0.8541  1.0
  Cu  Cu2  2  0.0863  0.2500  0.6074  1.0
  Se  Se3  2  0.1120  0.2500  0.8589  1.0
  Se  Se4  2  0.1757  0.7500  0.5348  1.0
  Se  Se5  2  0.4602  0.7500  0.1648  1.0
]