data_NaY2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.89
_cell_length_b   4.38
_cell_length_c   6.85
_cell_angle_alpha   90.0
_cell_angle_beta   104.13
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaY2Se
_chemical_formula_sum   'Na1 Y2 Se1'
_cell_volume   113.13
_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  0.0  1.0
  Y  Y2  1  0.22  0.19  0.8  1.0
  Y  Y3  1  0.99  0.19  0.85  1.0
  Se  Se1  1  0.16  0.0  0.32  1.0

data_NaY2Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.89
_cell_length_b   4.38
_cell_length_c   6.85
_cell_angle_alpha   90.0
_cell_angle_beta   104.13
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaY2Se
_chemical_formula_sum   'Na1 Y2 Se1'
_cell_volume   113.13
_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  0.0  1.0
  Y  Y1  1  0.22  0.19  0.8  1.0
  Y  Y2  1  0.99  0.19  0.85  1.0
  Se  Se3  1  0.16  0.0  0.32  1.0

Na Y Y Se
Na Y Y Se 0 2 - o - 0 3 o o o 1 2 - o o 