data_[Re1Ru1W2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Re  1.9000  1.3500  0.7125
  Ru  2.2000  1.3000  0.6610
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [2.7359]
_cell_length_b [4.4300]
_cell_length_c [5.1657]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.9439]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [ReRuW2]
_chemical_formula_sum '[Re1 Ru1 W2]'
_cell_volume [61.8473]
_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
[
  Re  Re0  1  0.5442  0.0000  0.5029  1
  Ru  Ru1  1  0.1488  0.5000  0.7470  1
  W  W2  1  0.0399  0.0000  0.9997  1
  W  W3  1  0.7671  0.5000  0.2503  1
]