data_[Nd12Bi2Se10]
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 [7.4334]
_cell_length_b [12.8705]
_cell_length_c [7.4717]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4355]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd6BiSe5]
_chemical_formula_sum '[Nd12 Bi2 Se10]'
_cell_volume [674.0977]
_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  8  0.2394  0.3275  0.7372  1
  Nd  Nd1  4  0.2391  0.5000  0.2578  1
  Bi  Bi2  2  0.0000  0.0000  0.0000  1
  Se  Se3  4  0.0000  0.1602  0.5000  1
  Se  Se4  4  0.0000  0.3322  0.0000  1
  Se  Se5  2  0.0000  0.5000  0.5000  1
]