data_[Nd8Cu4Bi4Se20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Cu  1.9000  1.3500  0.8200
  Bi  2.0200  1.6000  1.0350
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.1240]
_cell_length_b [17.6449]
_cell_length_c [12.4047]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Nd2CuBiSe5]
_chemical_formula_sum '[Nd8 Cu4 Bi4 Se20]'
_cell_volume [902.6699]
_cell_formula_units_Z [4]
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
[
  Nd  Nd0  4  0.0000  0.1141  0.3032  1.0
  Nd  Nd1  4  0.0000  0.1162  0.6837  1.0
  Cu  Cu2  4  0.0000  0.4998  0.4875  1.0
  Bi  Bi3  4  0.0000  0.1872  0.9972  1.0
  Se  Se4  4  0.0000  0.0356  0.0738  1.0
  Se  Se5  4  0.0000  0.2933  0.6636  1.0
  Se  Se6  4  0.0000  0.2948  0.3251  1.0
  Se  Se7  4  0.0000  0.3552  0.9964  1.0
  Se  Se8  4  0.0000  0.4906  0.2934  1.0
]