data_LaY
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.57
_cell_length_b   3.57
_cell_length_c   12.15
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   115.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaY
_chemical_formula_sum   'La2 Y2'
_cell_volume   139.07
_cell_formula_units_Z   2
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
  La  La0  1  0.9  0.49  0.53  1.0
  La  La1  1  0.9  0.51  0.62  1.0
  Y  Y2  1  0.9  0.49  0.64  1.0
  Y  Y3  1  0.9  0.51  0.51  1.0

data_LaY
_symmetry_space_group_name_H-M   C2/m
_cell_length_a   6.04
_cell_length_b   3.79
_cell_length_c   12.15
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   12
_chemical_formula_structural   LaY
_chemical_formula_sum   'La4 Y4'
_cell_volume   278.14
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, -z'
  3  '-x, y, -z'
  4  'x, -y, z'
  5  'x+1/2, y+1/2, z'
  6  '-x+1/2, -y+1/2, -z'
  7  '-x+1/2, y+1/2, -z'
  8  '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
  La  La0  4  0.01  0.5  0.46  1.0
  Y  Y1  4  0.01  0.5  0.57  1.0

La La Y Y
La La Y Y 0 3 o o o 1 2 o o o 