data_[K2Gd2Ti2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Gd  1.2000  1.8000  1.0750
  Ti  1.5400  1.4000  0.8517
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [4.1090]
_cell_length_b [11.1094]
_cell_length_c [7.6200]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.3226]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KGdTiSe3]
_chemical_formula_sum '[K2 Gd2 Ti2 Se6]'
_cell_volume [339.8312]
_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
[
  K  K0  2  0.2449  0.7500  0.5165  1
  Gd  Gd1  2  0.0000  0.0000  0.0000  1
  Ti  Ti2  2  0.4778  0.2500  0.9259  1
  Se  Se3  4  0.3958  0.0641  0.7407  1
  Se  Se4  2  0.0621  0.2500  0.1280  1
]