data_LaY
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.93
_cell_length_b   6.93
_cell_length_c   6.39
_cell_angle_alpha   116.96
_cell_angle_beta   116.96
_cell_angle_gamma   31.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaY
_chemical_formula_sum   'La2 Y2'
_cell_volume   140.59
_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  0.56  0.0  0.99  1.0
  La  La1  1  0.78  0.0  0.65  1.0
  Y  Y2  1  0.37  0.0  0.16  1.0
  Y  Y3  1  0.98  0.0  0.48  1.0

data_LaY
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.73
_cell_length_b   6.39
_cell_length_c   6.93
_cell_angle_alpha   116.96
_cell_angle_beta   105.61
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   LaY
_chemical_formula_sum   'La2 Y2'
_cell_volume   140.59
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.0  0.33  0.61  1.0
  Y  Y1  2  0.0  0.16  0.81  1.0

La La Y Y