data_[K4Y4Ti4]
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 [Cm]
_cell_length_a [12.4368]
_cell_length_b [3.5343]
_cell_length_c [9.9809]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.9460]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [KYTi]
_chemical_formula_sum '[K4 Y4 Ti4]'
_cell_volume [414.9500]
_cell_formula_units_Z [4]
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  0.1116  0.5000  0.5683  1
  K  K1  2  0.3001  0.0000  0.3740  1
  Y  Y2  2  0.2522  0.0000  0.9612  1
  Y  Y3  2  0.4436  0.5000  0.8337  1
  Ti  Ti4  2  0.0897  0.5000  0.0844  1
  Ti  Ti5  2  0.4553  0.5000  0.1488  1
]