data_[C4Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  C  2.5500  0.7000  0.3000
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [14.2350]
_cell_length_b [2.9017]
_cell_length_c [7.6227]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.9452]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [CSe2]
_chemical_formula_sum '[C4 Se8]'
_cell_volume [301.1918]
_cell_formula_units_Z [4]
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
[
  Se  Se0  2  0.1432  0.5000  0.9374  1
  Se  Se1  2  0.1611  0.0000  0.3409  1
  C  C2  2  0.1783  0.0000  0.1034  1
  Se  Se3  2  0.4031  0.0000  0.9858  1
  Se  Se4  2  0.4621  0.5000  0.6422  1
  C  C5  2  0.4855  0.0000  0.8236  1
]