data_[Na4Ti2Sb4Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Ti  1.5400  1.4000  0.8517
  Sb  2.0500  1.4500  0.8300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.0267]
_cell_length_b [11.9350]
_cell_length_c [7.4891]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4624]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na2Ti(SbSe3)2]
_chemical_formula_sum '[Na4 Ti2 Sb4 Se12]'
_cell_volume [592.1821]
_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  0.1746  0.0000  1.0
  Ti  Ti1  2  0.0000  0.0000  0.5000  1.0
  Sb  Sb2  4  0.0000  0.3304  0.5000  1.0
  Se  Se3  8  0.2316  0.1541  0.7173  1.0
  Se  Se4  4  0.2229  0.0000  0.2863  1.0
]