data_NaLaY
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.84
_cell_length_b   5.84
_cell_length_c   3.51
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaLaY
_chemical_formula_sum   'Na1 La1 Y1'
_cell_volume   103.46
_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  Na1  1  0.0  0.0  0.18  1.0
  La  La0  1  0.92  0.68  0.19  1.0
  Y  Y2  1  0.0  0.37  0.13  1.0

data_NaLaY
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.51
_cell_length_b   5.84
_cell_length_c   5.84
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaLaY
_chemical_formula_sum   'Na1 La1 Y1'
_cell_volume   103.46
_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  0.18  0.0  0.0  1.0
  La  La1  1  0.19  0.92  0.68  1.0
  Y  Y2  1  0.13  0.0  0.37  1.0

Na La Y
Na La Y 0 1 - - o 0 2 o o o 1 2 + o o 