data_[Cr6Se9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P31m]
_cell_length_a [9.0009]
_cell_length_b [9.0009]
_cell_length_c [19.1656]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [157]
_chemical_formula_structural [Cr2Se3]
_chemical_formula_sum '[Cr6 Se9]'
_cell_volume [1344.6918]
_cell_formula_units_Z [3]
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
[
  Cr  Cr0  3  0.0000  0.2298  0.5208  1
  Cr  Cr1  2  0.3333  0.6667  0.4741  1
  Cr  Cr2  1  0.0000  0.0000  0.6436  1
  Se  Se3  6  0.1926  0.7973  0.4262  1
  Se  Se4  3  0.0000  0.7595  0.5962  1
]