data_[Na2Y1Ti1Se4]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.8938]
_cell_length_b [3.9625]
_cell_length_c [7.3930]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.1351]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Na2YTiSe4]
_chemical_formula_sum '[Na2 Y1 Ti1 Se4]'
_cell_volume [191.9238]
_cell_formula_units_Z [1]
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  1  0.0000  0.5000  0.5000  1.0
  Na  Na1  1  0.5000  0.0000  0.5000  1.0
  Y  Y2  1  0.0000  0.0000  0.0000  1.0
  Ti  Ti3  1  0.5000  0.5000  0.0000  1.0
  Se  Se4  2  0.2602  0.5000  0.2265  1.0
  Se  Se5  2  0.2790  0.0000  0.7844  1.0
]