data_[Sn4Ru4W4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sn  1.9600  1.4500  0.8300
  Ru  2.2000  1.3000  0.6610
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.4599]
_cell_length_b [3.0959]
_cell_length_c [7.3810]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.9856]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [SnRuW]
_chemical_formula_sum '[Sn4 Ru4 W4]'
_cell_volume [212.8953]
_cell_formula_units_Z [4]
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  2  0.2054  0.0000  0.8427  1
  Sn  Sn1  2  0.3898  0.5000  0.5870  1
  Ru  Ru2  2  0.1880  0.5000  0.1557  1
  Ru  Ru3  2  0.4483  0.5000  0.9776  1
  W  W4  2  0.1449  0.0000  0.4303  1
  W  W5  2  0.4207  0.0000  0.2578  1
]