data_[Ti3Mn3Cr6Se18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Mn  1.5500  1.4000  0.6483
  Cr  1.6600  1.4000  0.9400
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [6.4284]
_cell_length_b [6.4284]
_cell_length_c [17.4427]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [TiMn(CrSe3)2]
_chemical_formula_sum '[Ti3 Mn3 Cr6 Se18]'
_cell_volume [624.2313]
_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
[
  Ti  Ti0  3  0.0000  0.0000  0.3251  1.0
  Mn  Mn1  3  0.0000  0.0000  0.8234  1.0
  Cr  Cr2  3  0.0000  0.0000  0.0080  1.0
  Cr  Cr3  3  0.0000  0.0000  0.5078  1.0
  Se  Se4  9  0.0159  0.3478  0.5836  1.0
  Se  Se5  9  0.0202  0.6718  0.0835  1.0
]