data_[Nd10Sm2Bi12]
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 [C2/m]
_cell_length_a [7.9717]
_cell_length_b [13.8099]
_cell_length_c [7.9667]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3352]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd5SmBi6]
_chemical_formula_sum '[Nd10 Sm2 Bi12]'
_cell_volume [827.5738]
_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  0.0000  0.1673  0.5000  1.0
  Nd  Nd1  4  0.0000  0.3335  0.0000  1.0
  Nd  Nd2  2  0.0000  0.5000  0.5000  1.0
  Sm  Sm3  2  0.0000  0.0000  0.0000  1.0
  Bi  Bi4  8  0.2487  0.1658  0.2487  1.0
  Bi  Bi5  4  0.2484  0.0000  0.7507  1.0
]