data_NaLa2Y
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.5
_cell_length_b   12.5
_cell_length_c   12.5
_cell_angle_alpha   16.79
_cell_angle_beta   16.79
_cell_angle_gamma   16.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaLa2Y
_chemical_formula_sum   'Na1 La2 Y1'
_cell_volume   142.18
_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  Na2  1  0.0  0.0  0.41  1.0
  La  La0  1  0.0  0.0  0.06  1.0
  La  La1  1  0.0  0.0  0.38  1.0
  Y  Y3  1  0.0  0.0  0.6  1.0

data_NaLa2Y
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.32
_cell_length_b   3.65
_cell_length_c   12.5
_cell_angle_alpha   90.0
_cell_angle_beta   99.71
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NaLa2Y
_chemical_formula_sum   'Na2 La4 Y2'
_cell_volume   284.36
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.59  1.0
  La  La1  2  0.0  0.0  0.62  1.0
  La  La2  2  0.0  0.0  0.94  1.0
  Y  Y3  2  0.0  0.0  0.4  1.0

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