data_La3Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.96
_cell_length_b   5.82
_cell_length_c   5.46
_cell_angle_alpha   90.0
_cell_angle_beta   97.65
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La3Se
_chemical_formula_sum   'La3 Se1'
_cell_volume   124.57
_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  0.12  0.91  0.25  1.0
  La  La1  1  0.61  0.0  0.71  1.0
  La  La2  1  0.11  0.91  0.16  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

data_La3Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.96
_cell_length_b   5.46
_cell_length_c   5.82
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   97.65
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La3Se
_chemical_formula_sum   'La3 Se1'
_cell_volume   124.57
_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  0.39  0.29  0.0  1.0
  La  La1  1  0.88  0.75  0.09  1.0
  La  La2  1  0.89  0.84  0.09  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

La La La Se
La La La Se 0 2 o o o 1 3 + o + 2 3 o + o 