data_[Na4Tm4Ti2Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Tm  1.2500  1.7500  1.0950
  Ti  1.5400  1.4000  0.8517
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.8773]
_cell_length_b [11.7766]
_cell_length_c [7.4625]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.1381]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na2Tm2TiSe6]
_chemical_formula_sum '[Na4 Tm4 Ti2 Se12]'
_cell_volume [574.3667]
_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  4  0.0000  0.1716  0.0000  1.0
  Tm  Tm1  4  0.0000  0.3328  0.5000  1.0
  Ti  Ti2  2  0.0000  0.0000  0.5000  1.0
  Se  Se3  8  0.2309  0.1554  0.7185  1.0
  Se  Se4  4  0.2351  0.0000  0.2846  1.0
]