data_[Nd3Sm12Dy3Se24]
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
  Dy  1.2200  1.7500  1.1310
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [8.5821]
_cell_length_b [8.5821]
_cell_length_c [21.0666]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [NdSm4DySe8]
_chemical_formula_sum '[Nd3 Sm12 Dy3 Se24]'
_cell_volume [1343.7347]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.0010  1
  Sm  Sm1  9  0.1677  0.3355  0.8330  1
  Sm  Sm2  3  0.0000  0.0000  0.6253  1
  Dy  Dy3  3  0.0000  0.0000  0.3746  1
  Se  Se4  9  0.0113  0.5057  0.7529  1
  Se  Se5  9  0.1760  0.3520  0.5797  1
  Se  Se6  3  0.0000  0.0000  0.2443  1
  Se  Se7  3  0.0000  0.0000  0.7581  1
]