data_LaNbSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.63
_cell_length_b   3.63
_cell_length_c   6.52
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaNbSe
_chemical_formula_sum   'La1 Nb1 Se1'
_cell_volume   74.41
_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  0.82  0.05  0.43  1.0
  Nb  Nb1  1  0.0  0.1  0.51  1.0
  Se  Se2  1  0.0  0.0  0.1  1.0

data_LaNbSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.63
_cell_length_b   3.63
_cell_length_c   6.52
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaNbSe
_chemical_formula_sum   'La1 Nb1 Se1'
_cell_volume   74.41
_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  0.82  0.05  0.43  1.0
  Nb  Nb1  1  0.0  0.1  0.51  1.0
  Se  Se2  1  0.0  0.0  0.1  1.0

La Nb Se
La Nb Se 0 1 + o o 0 2 + o o 1 2 o o o 