data_[Mn3Cr6Co3Se18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Cr  1.6600  1.4000  0.9400
  Co  1.8800  1.3500  0.7683
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [6.3463]
_cell_length_b [6.3463]
_cell_length_c [16.6884]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [MnCr2CoSe6]
_chemical_formula_sum '[Mn3 Cr6 Co3 Se18]'
_cell_volume [582.0839]
_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
[
  Mn  Mn0  3  0.0000  0.0000  0.1773  1.0
  Cr  Cr1  3  0.0000  0.0000  0.4880  1.0
  Cr  Cr2  3  0.0000  0.0000  0.9896  1.0
  Co  Co3  3  0.0000  0.0000  0.6759  1.0
  Se  Se4  9  0.0221  0.3418  0.7491  1.0
  Se  Se5  9  0.0285  0.6720  0.2529  1.0
]