data_La2YSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.75
_cell_length_b   9.75
_cell_length_c   9.75
_cell_angle_alpha   23.93
_cell_angle_beta   23.93
_cell_angle_gamma   23.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2YSi
_chemical_formula_sum   'La2 Y1 Si1'
_cell_volume   134.15
_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  0.0  0.0  0.65  1.0
  La  La1  1  0.0  0.0  0.76  1.0
  Y  Y3  1  0.0  0.0  0.21  1.0
  Si  Si2  1  0.0  0.0  0.0  1.0

data_La2YSi
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.01
_cell_length_b   4.04
_cell_length_c   9.75
_cell_angle_alpha   90.0
_cell_angle_beta   103.85
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   La2YSi
_chemical_formula_sum   'La4 Y2 Si2'
_cell_volume   268.31
_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  0.0  0.0  0.35  1.0
  La  La1  2  0.0  0.0  0.24  1.0
  Y  Y2  2  0.0  0.0  0.79  1.0
  Si  Si3  2  0.0  0.0  0.0  1.0

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