data_[Ti2Sb6W8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Sb  2.0500  1.4500  0.8300
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [5.6846]
_cell_length_b [10.2024]
_cell_length_c [5.5378]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [TiSb3W4]
_chemical_formula_sum '[Ti2 Sb6 W8]'
_cell_volume [321.1721]
_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  0.3485  1
  Sb  Sb1  4  0.0000  0.2657  0.5258  1
  Sb  Sb2  2  0.0000  0.5000  0.9445  1
  W  W3  4  0.0000  0.1985  0.0309  1
  W  W4  4  0.2388  0.0000  0.8724  1
]