data_[Ti4Re2W4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Re  1.9000  1.3500  0.7125
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.0585]
_cell_length_b [4.4015]
_cell_length_c [2.7775]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.6132]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ti2ReW2]
_chemical_formula_sum '[Ti4 Re2 W4]'
_cell_volume [157.3985]
_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
[
  Ti  Ti0  4  0.0968  0.5000  0.8817  1
  Re  Re1  2  0.0000  0.0000  0.5000  1
  W  W2  4  0.2005  0.0000  0.3153  1
]