data_[Ta4Re2W2]
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 [Imm2]
_cell_length_a [3.2196]
_cell_length_b [4.5415]
_cell_length_c [9.2163]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [Ta2ReW]
_chemical_formula_sum '[Ta4 Re2 W2]'
_cell_volume [134.7607]
_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
[
  Ta  Ta0  2  0.0000  0.0000  0.2469  1.0
  Ta  Ta1  2  0.0000  0.5000  0.0049  1.0
  Re  Re2  2  0.0000  0.0000  0.7528  1.0
  W  W3  2  0.0000  0.5000  0.4955  1.0
]