data_[Re14W10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Re  1.9000  1.3500  0.7125
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [5.1443]
_cell_length_b [5.1443]
_cell_length_c [16.7273]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [194]
_chemical_formula_structural [Re7W5]
_chemical_formula_sum '[Re14 W10]'
_cell_volume [383.3642]
_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
[
  Re  Re0  6  0.0000  0.5000  0.0000  1
  Re  Re1  4  0.3333  0.6667  0.1245  1
  Re  Re2  4  0.3333  0.6667  0.6546  1
  W  W3  6  0.1625  0.3251  0.2500  1
  W  W4  4  0.0000  0.0000  0.0918  1
]