data_[Re2W2Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Re  1.9000  1.3500  0.7125
  W  2.3600  1.3500  0.7667
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.9813]
_cell_length_b [3.2325]
_cell_length_c [6.2199]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.3805]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [ReWSe2]
_chemical_formula_sum '[Re2 W2 Se4]'
_cell_volume [178.6501]
_cell_formula_units_Z [2]
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  2  0.2787  0.5000  0.3272  1
  W  W1  2  0.4959  0.0000  0.4275  1
  Se  Se2  2  0.0081  0.0000  0.1105  1
  Se  Se3  2  0.2172  0.0000  0.6347  1
]