data_[Cr1Re1W2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  Re  1.9000  1.3500  0.7125
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [2.7017]
_cell_length_b [4.3694]
_cell_length_c [5.1437]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.2513]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [CrReW2]
_chemical_formula_sum '[Cr1 Re1 W2]'
_cell_volume [59.7517]
_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
[
  Cr  Cr0  1  0.4891  0.0000  0.5048  1.0
  Re  Re1  1  0.7550  0.5000  0.2516  1.0
  W  W2  1  0.0024  0.0000  0.0043  1.0
  W  W3  1  0.2535  0.5000  0.7393  1.0
]