data_[Nd10Bi2Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Bi  2.0200  1.6000  1.0350
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.3312]
_cell_length_b [4.2970]
_cell_length_c [10.5532]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.5012]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd5BiSe4]
_chemical_formula_sum '[Nd10 Bi2 Se8]'
_cell_volume [565.6193]
_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
[
  Nd  Nd0  4  0.1075  0.5000  0.8909  1
  Nd  Nd1  4  0.2054  0.0000  0.3138  1
  Nd  Nd2  2  0.0000  0.0000  0.5000  1
  Bi  Bi3  2  0.0000  0.0000  0.0000  1
  Se  Se4  4  0.0948  0.5000  0.3962  1
  Se  Se5  4  0.2043  0.0000  0.7947  1
]