data_[Na2Sm4Tm6Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Sm  1.1700  1.8500  1.2290
  Tm  1.2500  1.7500  1.0950
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.9981]
_cell_length_b [4.0619]
_cell_length_c [8.2585]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.1704]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NaSm2(TmSe2)3]
_chemical_formula_sum '[Na2 Sm4 Tm6 Se12]'
_cell_volume [585.3799]
_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
[
  Na  Na0  2  0.0000  0.5000  0.0000  1.0
  Sm  Sm1  4  0.1717  0.0000  0.3449  1.0
  Tm  Tm2  4  0.1668  0.0000  0.8285  1.0
  Tm  Tm3  2  0.0000  0.5000  0.5000  1.0
  Se  Se4  4  0.0013  0.0000  0.7427  1.0
  Se  Se5  4  0.1609  0.5000  0.5924  1.0
  Se  Se6  4  0.1690  0.5000  0.0752  1.0
]