data_LaMnNb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.09
_cell_length_b   3.09
_cell_length_c   8.14
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaMnNb2
_chemical_formula_sum   'La1 Mn1 Nb2'
_cell_volume   77.59
_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  0.07  1.0
  Mn  Mn1  1  0.0  0.0  0.0  1.0
  Nb  Nb2  1  0.16  0.0  0.49  1.0
  Nb  Nb3  1  0.16  0.0  0.65  1.0

data_LaMnNb2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.09
_cell_length_b   3.09
_cell_length_c   8.14
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   LaMnNb2
_chemical_formula_sum   'La1 Mn1 Nb2'
_cell_volume   77.61
_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  0.0  0.0  0.07  1.0
  Mn  Mn1  1  0.0  0.0  0.0  1.0
  Nb  Nb2  1  0.16  0.0  0.49  1.0
  Nb  Nb3  1  0.16  0.0  0.65  1.0

La Mn Nb Nb
La Mn Nb Nb 0 1 o o o 2 3 o o o 