data_[Re2Si8Mo1W1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Re  1.9000  1.3500  0.7125
  Si  1.9000  1.1000  0.5400
  Mo  2.1600  1.4500  0.7750
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [3.2071]
_cell_length_b [3.2071]
_cell_length_c [15.7533]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [99]
_chemical_formula_structural [Re2Si8MoW]
_chemical_formula_sum '[Re2 Si8 Mo1 W1]'
_cell_volume [162.0275]
_cell_formula_units_Z [1]
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
[
  Si  Si0  1  0.0000  0.0000  0.1660  1.0
  Si  Si1  1  0.0000  0.0000  0.3333  1.0
  Re  Re2  1  0.0000  0.0000  0.5015  1.0
  Si  Si3  1  0.0000  0.0000  0.6661  1.0
  Si  Si4  1  0.0000  0.0000  0.8348  1.0
  Si  Si5  1  0.5000  0.5000  0.0833  1.0
  Si  Si6  1  0.5000  0.5000  0.4155  1.0
  Si  Si7  1  0.5000  0.5000  0.5841  1.0
  Re  Re8  1  0.5000  0.5000  0.7482  1.0
  Si  Si9  1  0.5000  0.5000  0.9172  1.0
  Mo  Mo10  1  0.0000  0.0000  0.9984  1.0
  W  W11  1  0.5000  0.5000  0.2516  1.0
]