data_[Fe3Co6Ni3Se18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Fe  1.8300  1.4000  0.8525
  Co  1.8800  1.3500  0.7683
  Ni  1.9100  1.3500  0.7400
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [6.0877]
_cell_length_b [6.0877]
_cell_length_c [15.9330]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [FeCo2NiSe6]
_chemical_formula_sum '[Fe3 Co6 Ni3 Se18]'
_cell_volume [511.3690]
_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
[
  Fe  Fe0  3  0.0000  0.0000  0.3136  1.0
  Co  Co1  3  0.0000  0.0000  0.0151  1.0
  Co  Co2  3  0.0000  0.0000  0.5171  1.0
  Ni  Ni3  3  0.0000  0.0000  0.8161  1.0
  Se  Se4  9  0.0005  0.3098  0.9172  1.0
  Se  Se5  9  0.0328  0.6718  0.0823  1.0
]