data_[K2Y2Ti2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Y  1.2200  1.8000  1.0400
  Ti  1.5400  1.4000  0.8517
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.0715]
_cell_length_b [3.3272]
_cell_length_c [10.6403]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.8503]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KYTi]
_chemical_formula_sum '[K2 Y2 Ti2]'
_cell_volume [212.3878]
_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  0.2795  0.2500  0.6155  1
  Y  Y1  2  0.1566  0.2500  0.1314  1
  Ti  Ti2  2  0.3550  0.7500  0.9288  1
]