data_[Na3Nd3Tm12Se24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Nd  1.1400  1.8500  1.2765
  Tm  1.2500  1.7500  1.0950
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [8.3701]
_cell_length_b [8.3701]
_cell_length_c [20.9515]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [NaNd(TmSe2)4]
_chemical_formula_sum '[Na3 Nd3 Tm12 Se24]'
_cell_volume [1271.1757]
_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
[
  Na  Na0  3  0.0000  0.0000  0.6280  1
  Nd  Nd1  3  0.0000  0.0000  0.9954  1
  Tm  Tm2  9  0.0134  0.5067  0.5016  1
  Tm  Tm3  3  0.0000  0.0000  0.3736  1
  Se  Se4  9  0.0141  0.5071  0.7558  1
  Se  Se5  9  0.1770  0.3540  0.5761  1
  Se  Se6  3  0.0000  0.0000  0.2415  1
  Se  Se7  3  0.0000  0.0000  0.7611  1
]