data_[Sn6Os6W9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sn  1.9600  1.4500  0.8300
  Os  2.2000  1.3000  0.6730
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.5099]
_cell_length_b [4.5099]
_cell_length_c [19.9674]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Sn2Os2W3]
_chemical_formula_sum '[Sn6 Os6 W9]'
_cell_volume [351.7110]
_cell_formula_units_Z [3]
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
[
  Sn  Sn0  3  0.0000  0.0000  0.2319  1
  Sn  Sn1  3  0.0000  0.0000  0.8044  1
  Os  Os2  3  0.0000  0.0000  0.5172  1
  Os  Os3  3  0.0000  0.0000  0.9534  1
  W  W4  3  0.0000  0.0000  0.0832  1
  W  W5  3  0.0000  0.0000  0.3731  1
  W  W6  3  0.0000  0.0000  0.6617  1
]