data_[Mg1Ru1W2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Ru  2.2000  1.3000  0.6610
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [2.7479]
_cell_length_b [4.3771]
_cell_length_c [5.3387]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.0204]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [MgRuW2]
_chemical_formula_sum '[Mg1 Ru1 W2]'
_cell_volume [63.2336]
_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
[
  Mg  Mg0  1  0.4811  0.0000  0.5063  1
  Ru  Ru1  1  0.2118  0.5000  0.7431  1
  W  W2  1  0.0124  0.0000  0.9984  1
  W  W3  1  0.7947  0.5000  0.2522  1
]