data_[Mo1Ru2W1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mo  2.1600  1.4500  0.7750
  Ru  2.2000  1.3000  0.6610
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [2.7399]
_cell_length_b [4.2806]
_cell_length_c [5.3519]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.7508]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [MoRu2W]
_chemical_formula_sum '[Mo1 Ru2 W1]'
_cell_volume [60.7007]
_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
[
  Mo  Mo0  1  0.4380  0.5000  0.7642  1
  Ru  Ru1  1  0.5791  0.5000  0.2690  1
  Ru  Ru2  1  0.9388  0.0000  0.9799  1
  W  W3  1  0.0441  0.0000  0.4869  1
]