data_La2YSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.67
_cell_length_b   5.44
_cell_length_c   6.06
_cell_angle_alpha   90.0
_cell_angle_beta   104.1
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2YSi
_chemical_formula_sum   'La2 Y1 Si1'
_cell_volume   117.17
_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  0.43  0.72  0.62  1.0
  La  La1  1  0.76  0.72  0.26  1.0
  Y  Y3  1  0.1  0.0  0.94  1.0
  Si  Si2  1  0.0  0.0  0.0  1.0

data_La2YSi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.67
_cell_length_b   5.44
_cell_length_c   6.06
_cell_angle_alpha   90.0
_cell_angle_beta   104.1
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2YSi
_chemical_formula_sum   'La2 Y1 Si1'
_cell_volume   117.17
_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  0.43  0.72  0.62  1.0
  La  La1  1  0.76  0.72  0.26  1.0
  Y  Y2  1  0.1  0.0  0.94  1.0
  Si  Si3  1  0.0  0.0  0.0  1.0

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