data_[Ti2V4Sn8]
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 [C2/m]
_cell_length_a [8.2677]
_cell_length_b [6.8535]
_cell_length_c [5.9345]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.5930]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ti(VSn2)2]
_chemical_formula_sum '[Ti2 V4 Sn8]'
_cell_volume [292.3996]
_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  2  0.0000  0.0000  0.5000  1
  V  V1  4  0.0073  0.5000  0.7988  1
  Sn  Sn2  8  0.2175  0.2102  0.2339  1
]