data_[Nd4Sm2Ho6Se12]
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
  Ho  1.2300  1.7500  1.0410
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.2026]
_cell_length_b [4.0815]
_cell_length_c [8.3752]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.3061]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd2Sm(HoSe2)3]
_chemical_formula_sum '[Nd4 Sm2 Ho6 Se12]'
_cell_volume [600.1489]
_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  0.1672  0.0000  0.3341  1.0
  Sm  Sm1  2  0.0000  0.5000  0.0000  1.0
  Ho  Ho2  4  0.1677  0.0000  0.8333  1.0
  Ho  Ho3  2  0.0000  0.5000  0.5000  1.0
  Se  Se4  4  0.0039  0.0000  0.7444  1.0
  Se  Se5  4  0.1628  0.5000  0.5925  1.0
  Se  Se6  4  0.1686  0.5000  0.0731  1.0
]