data_LaY2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.69
_cell_length_b   9.69
_cell_length_c   5.84
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   158.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaY2
_chemical_formula_sum   'La2 Y4'
_cell_volume   205.44
_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  0.85  0.87  0.38  1.0
  La  La1  1  0.85  0.13  0.46  1.0
  Y  Y2  1  0.85  0.57  0.38  1.0
  Y  Y3  1  0.85  0.77  0.46  1.0
  Y  Y4  1  0.85  0.23  0.38  1.0
  Y  Y5  1  0.85  0.43  0.46  1.0

data_LaY2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.7
_cell_length_b   5.84
_cell_length_c   9.69
_cell_angle_alpha   90.0
_cell_angle_beta   101.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   LaY2
_chemical_formula_sum   'La2 Y4'
_cell_volume   205.44
_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  0.13  0.46  0.13  1.0
  Y  Y1  2  0.23  0.54  0.23  1.0
  Y  Y2  2  0.43  0.46  0.43  1.0

La La Y Y Y Y
La La Y Y Y Y 0 3 o o o 1 4 o o o 2 5 o o o 