data_[Na3Ti3In2]
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
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [6.1178]
_cell_length_b [6.1178]
_cell_length_c [5.3350]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [Na3Ti3In2]
_chemical_formula_sum '[Na3 Ti3 In2]'
_cell_volume [172.9231]
_cell_formula_units_Z [1]
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  0.3350  0.1675  0.5000  1
  Ti  Ti1  3  0.0432  0.5216  0.0000  1
  In  In2  1  0.0000  0.0000  0.0000  1
  In  In3  1  0.3333  0.6667  0.5000  1
]