data_La2NbSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.89
_cell_length_b   4.02
_cell_length_c   6.56
_cell_angle_alpha   90.0
_cell_angle_beta   91.5
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2NbSi
_chemical_formula_sum   'La2 Nb1 Si1'
_cell_volume   102.67
_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  0.94  0.01  0.51  1.0
  La  La1  1  0.79  0.01  0.05  1.0
  Nb  Nb2  1  0.91  0.0  0.28  1.0
  Si  Si3  1  0.0  0.0  0.0  1.0

data_La2NbSi
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.89
_cell_length_b   4.02
_cell_length_c   6.56
_cell_angle_alpha   90.0
_cell_angle_beta   91.5
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   La2NbSi
_chemical_formula_sum   'La2 Nb1 Si1'
_cell_volume   102.67
_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  1  0.79  0.0  0.05  1.0
  La  La1  1  0.94  0.0  0.51  1.0
  Nb  Nb2  1  0.91  0.0  0.28  1.0
  Si  Si3  1  0.0  0.0  0.0  1.0

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