data_[Ti16V2Sn4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  V  1.6300  1.3500  0.7775
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.7299]
_cell_length_b [6.2937]
_cell_length_c [13.1587]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Ti8VSn2]
_chemical_formula_sum '[Ti16 V2 Sn4]'
_cell_volume [391.7124]
_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
[
  Ti  Ti0  8  0.0000  0.2248  0.3714  1.0
  Ti  Ti1  4  0.0000  0.0000  0.1665  1.0
  Ti  Ti2  4  0.0000  0.2638  0.0000  1.0
  V  V3  2  0.0000  0.5000  0.5000  1.0
  Sn  Sn4  4  0.0000  0.5000  0.1917  1.0
]