data_NaLaY2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.35
_cell_length_b   6.35
_cell_length_c   6.32
_cell_angle_alpha   101.02
_cell_angle_beta   101.02
_cell_angle_gamma   32.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaLaY2
_chemical_formula_sum   'Na1 La1 Y2'
_cell_volume   136.01
_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  0.11  0.0  0.66  1.0
  La  La0  1  0.46  0.0  0.03  1.0
  Y  Y2  1  0.01  0.0  0.09  1.0
  Y  Y3  1  0.8  0.0  0.51  1.0

data_NaLaY2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.61
_cell_length_b   6.32
_cell_length_c   6.35
_cell_angle_alpha   101.02
_cell_angle_beta   106.5
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaLaY2
_chemical_formula_sum   'Na1 La1 Y2'
_cell_volume   136.01
_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  0.66  0.11  1.0
  La  La1  1  0.0  0.03  0.46  1.0
  Y  Y2  1  0.0  0.09  0.01  1.0
  Y  Y3  1  0.0  0.51  0.8  1.0

Na La Y Y
Na La Y Y 0 3 - o o 0 1 o o + 0 2 o o + 0 2 o o o 1 2 o o o 1 2 + o o 1 1 + - o 1 3 o o o 2 3 - o - 2 3 - o o 2 2 + - o 