data_[Nd2Sm2Bi12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Sm  1.1700  1.8500  1.2290
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.6819]
_cell_length_b [4.6958]
_cell_length_c [23.3551]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [NdSmBi6]
_chemical_formula_sum '[Nd2 Sm2 Bi12]'
_cell_volume [513.4670]
_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  2  0.0000  0.0000  0.1759  1
  Sm  Sm1  2  0.5000  0.0000  0.8243  1
  Bi  Bi2  2  0.0000  0.0000  0.3144  1
  Bi  Bi3  2  0.0000  0.0000  0.5587  1
  Bi  Bi4  2  0.0000  0.0000  0.9336  1
  Bi  Bi5  2  0.5000  0.0000  0.0656  1
  Bi  Bi6  2  0.5000  0.0000  0.4404  1
  Bi  Bi7  2  0.5000  0.0000  0.6870  1
]