data_[Cr3Sn9Se18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  Sn  1.9600  1.4500  0.8300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [6.9292]
_cell_length_b [6.9292]
_cell_length_c [18.9962]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [Cr(SnSe2)3]
_chemical_formula_sum '[Cr3 Sn9 Se18]'
_cell_volume [789.8847]
_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  0.0000  0.1604  1
  Sn  Sn1  3  0.0000  0.0000  0.3648  1
  Sn  Sn2  3  0.0000  0.0000  0.6407  1
  Sn  Sn3  3  0.0000  0.0000  0.8404  1
  Se  Se4  9  0.0571  0.3447  0.7524  1
  Se  Se5  9  0.0605  0.6859  0.9121  1
]