data_NaYSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.05
_cell_length_b   7.52
_cell_length_c   7.52
_cell_angle_alpha   28.73
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaYSe2
_chemical_formula_sum   'Na1 Y1 Se2'
_cell_volume   109.88
_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  0.0  0.0  0.27  1.0
  Y  Y3  1  0.02  0.0  0.53  1.0
  Se  Se1  1  0.0  0.0  0.34  1.0
  Se  Se2  1  0.02  0.0  0.7  1.0

data_NaYSe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.73
_cell_length_b   4.05
_cell_length_c   7.52
_cell_angle_alpha   90.0
_cell_angle_beta   104.37
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaYSe2
_chemical_formula_sum   'Na1 Y1 Se2'
_cell_volume   109.88
_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  0.73  0.0  0.73  1.0
  Y  Y1  1  0.47  0.02  0.47  1.0
  Se  Se2  1  0.3  0.02  0.3  1.0
  Se  Se3  1  0.66  0.0  0.66  1.0

Na Y Se Se