data_[Mn3Al3Cr6Se18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Al  1.6100  1.2500  0.6750
  Cr  1.6600  1.4000  0.9400
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [6.4389]
_cell_length_b [6.4389]
_cell_length_c [17.2352]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [MnAl(CrSe3)2]
_chemical_formula_sum '[Mn3 Al3 Cr6 Se18]'
_cell_volume [618.8216]
_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  0.1789  1.0
  Al  Al1  3  0.0000  0.0000  0.6821  1.0
  Cr  Cr2  3  0.0000  0.0000  0.4893  1.0
  Cr  Cr3  3  0.0000  0.0000  0.9870  1.0
  Se  Se4  9  0.0005  0.6910  0.5841  1.0
  Se  Se5  9  0.0046  0.3122  0.0830  1.0
]