data_[Na2Y2Ti2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  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 [3.2985]
_cell_length_b [4.7911]
_cell_length_c [10.5832]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.6469]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [NaYTi]
_chemical_formula_sum '[Na2 Y2 Ti2]'
_cell_volume [165.3484]
_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
[
  Na  Na0  2  0.1994  0.7500  0.9066  1
  Y  Y1  2  0.4060  0.7500  0.3042  1
  Ti  Ti2  2  0.0251  0.7500  0.5526  1
]