data_[Zn2Ru1W1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  Ru  2.2000  1.3000  0.6610
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [2.7116]
_cell_length_b [4.3770]
_cell_length_c [5.0652]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.3734]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Zn2RuW]
_chemical_formula_sum '[Zn2 Ru1 W1]'
_cell_volume [58.9374]
_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
[
  Zn  Zn0  2  0.3049  0.0000  0.2456  1
  Ru  Ru1  1  0.5000  0.5000  0.0000  1
  W  W2  1  0.0000  0.5000  0.5000  1
]