data_[Ta12Re4W8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Re  1.9000  1.3500  0.7125
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [4.5561]
_cell_length_b [13.7056]
_cell_length_c [6.4655]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Ta3ReW2]
_chemical_formula_sum '[Ta12 Re4 W8]'
_cell_volume [403.7338]
_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
[
  Ta  Ta0  8  0.0000  0.1673  0.2478  1
  Ta  Ta1  4  0.0000  0.5000  0.2484  1
  Re  Re2  4  0.0000  0.3334  0.0000  1
  W  W3  4  0.0000  0.3329  0.5000  1
  W  W4  2  0.0000  0.0000  0.0000  1
  W  W5  2  0.0000  0.0000  0.5000  1
]