data_[Na2Sm6Tm4Te12]
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
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.2776]
_cell_length_b [4.3735]
_cell_length_c [8.8635]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.8507]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NaSm3(TmTe3)2]
_chemical_formula_sum '[Na2 Sm6 Tm4 Te12]'
_cell_volume [725.5649]
_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
  Sm  Sm1  4  0.1596  0.0000  0.8202  1
  Sm  Sm2  2  0.0000  0.5000  0.5000  1
  Tm  Tm3  4  0.1656  0.0000  0.3373  1
  Te  Te4  4  0.0056  0.0000  0.2480  1
  Te  Te5  4  0.1695  0.5000  0.5755  1
  Te  Te6  4  0.1697  0.5000  0.0905  1
]