data_[In2W8Se14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  W  2.3600  1.3500  0.7667
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [4.9173]
_cell_length_b [16.8306]
_cell_length_c [7.0753]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [InW4Se7]
_chemical_formula_sum '[In2 W8 Se14]'
_cell_volume [585.5614]
_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
[
  In  In0  2  0.0000  0.0000  0.2925  1
  W  W1  4  0.0000  0.2521  0.6396  1
  W  W2  4  0.0000  0.4288  0.1475  1
  Se  Se3  4  0.0000  0.1142  0.7906  1
  Se  Se4  4  0.0000  0.2747  0.2930  1
  Se  Se5  4  0.0000  0.3713  0.8207  1
  Se  Se6  2  0.0000  0.5000  0.4621  1
]