data_[Nd8Sm4Se16]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.0788]
_cell_length_b [13.9764]
_cell_length_c [14.1445]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Nd2SmSe4]
_chemical_formula_sum '[Nd8 Sm4 Se16]'
_cell_volume [806.3393]
_cell_formula_units_Z [4]
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  0.0000  0.1300  0.0707  1
  Sm  Sm1  4  0.0000  0.3731  0.2500  1
  Se  Se2  8  0.0000  0.2216  0.6241  1
  Se  Se3  4  0.0000  0.0247  0.2500  1
  Se  Se4  4  0.0000  0.5000  0.0000  1
]