data_La2SiSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.41
_cell_length_b   5.41
_cell_length_c   3.53
_cell_angle_alpha   90.85
_cell_angle_beta   90.85
_cell_angle_gamma   90.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2SiSe
_chemical_formula_sum   'La2 Si1 Se1'
_cell_volume   103.25
_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  0.87  0.92  0.76  1.0
  La  La1  1  0.87  0.08  0.76  1.0
  Si  Si3  1  0.0  0.0  0.0  1.0
  Se  Se2  1  0.82  0.0  0.0  1.0

data_La2SiSe
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.53
_cell_length_b   5.41
_cell_length_c   5.41
_cell_angle_alpha   90.0
_cell_angle_beta   90.85
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   La2SiSe
_chemical_formula_sum   'La2 Si1 Se1'
_cell_volume   103.27
_cell_formula_units_Z   1
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  0.76  0.08  0.87  1.0
  Si  Si1  1  0.0  0.0  0.0  1.0
  Se  Se2  1  0.0  0.0  0.82  1.0

La La Si Se