data_[Na2Ti10In4]
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 [Amm2]
_cell_length_a [4.8367]
_cell_length_b [5.9059]
_cell_length_c [10.5487]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [NaTi5In2]
_chemical_formula_sum '[Na2 Ti10 In4]'
_cell_volume [301.3195]
_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  0.0000  0.8294  1
  Ti  Ti1  4  0.0000  0.2418  0.0787  1
  Ti  Ti2  4  0.5000  0.2360  0.4283  1
  Ti  Ti3  2  0.5000  0.0000  0.1581  1
  In  In4  2  0.0000  0.0000  0.3284  1
  In  In5  2  0.5000  0.0000  0.6701  1
]