data_[Ru1W1Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ru  2.2000  1.3000  0.6610
  W  2.3600  1.3500  0.7667
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.1555]
_cell_length_b [7.3682]
_cell_length_c [21.0199]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [RuWSe4]
_chemical_formula_sum '[Ru1 W1 Se4]'
_cell_volume [488.7196]
_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
[
  Ru  Ru0  1  0.5000  0.5000  0.4390  1
  W  W1  1  0.0000  0.0000  0.5504  1
  Se  Se2  2  0.5000  0.2370  0.5057  1
  Se  Se3  1  0.0000  0.5000  0.3564  1
  Se  Se4  1  0.5000  0.0000  0.6428  1
]