data_[Li2Ti2Co2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ti  1.5400  1.4000  0.8517
  Co  1.8800  1.3500  0.7683
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.3990]
_cell_length_b [3.5615]
_cell_length_c [9.0883]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.9473]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [LiTiCoSe3]
_chemical_formula_sum '[Li2 Ti2 Co2 Se6]'
_cell_volume [229.0879]
_cell_formula_units_Z [2]
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
[
  Li  Li0  2  0.2217  0.2500  0.2482  1.0
  Ti  Ti1  2  0.3063  0.7500  0.8221  1.0
  Co  Co2  2  0.0843  0.2500  0.5962  1.0
  Se  Se3  2  0.0745  0.2500  0.8537  1.0
  Se  Se4  2  0.2545  0.7500  0.5299  1.0
  Se  Se5  2  0.4255  0.7500  0.1360  1.0
]