data_LaY3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.77
_cell_length_b   5.77
_cell_length_c   4.07
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaY3
_chemical_formula_sum   'La1 Y3'
_cell_volume   135.44
_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
  La  La0  1  0.88  0.88  0.0  1.0
  Y  Y1  1  0.0  0.88  0.04  1.0
  Y  Y2  1  0.88  0.0  0.04  1.0
  Y  Y3  1  0.0  0.0  0.0  1.0

data_LaY3
_symmetry_space_group_name_H-M   Cm
_cell_length_a   8.16
_cell_length_b   8.16
_cell_length_c   4.07
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LaY3
_chemical_formula_sum   'La2 Y6'
_cell_volume   270.88
_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
  La  La0  2  0.38  0.5  0.0  1.0
  Y  Y1  4  0.44  0.44  0.04  1.0
  Y  Y2  2  0.0  0.0  0.0  1.0

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