data_LaMn2Nb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.02
_cell_length_b   5.02
_cell_length_c   5.32
_cell_angle_alpha   102.15
_cell_angle_beta   102.15
_cell_angle_gamma   35.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaMn2Nb
_chemical_formula_sum   'La1 Mn2 Nb1'
_cell_volume   75.76
_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  0.77  0.0  0.25  1.0
  Mn  Mn1  1  0.14  0.0  0.67  1.0
  Mn  Mn2  1  0.66  0.0  0.99  1.0
  Nb  Nb3  1  0.41  0.0  0.06  1.0

data_LaMn2Nb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.05
_cell_length_b   5.02
_cell_length_c   5.32
_cell_angle_alpha   102.15
_cell_angle_beta   90.0
_cell_angle_gamma   107.7
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaMn2Nb
_chemical_formula_sum   'La1 Mn2 Nb1'
_cell_volume   75.76
_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  0.23  0.75  1.0
  Mn  Mn1  1  0.0  0.34  0.01  1.0
  Mn  Mn2  1  0.0  0.86  0.33  1.0
  Nb  Nb3  1  0.0  0.59  0.94  1.0

La Mn Mn Nb