data_LaMn2Nb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.21
_cell_length_b   4.21
_cell_length_c   6.19
_cell_angle_alpha   96.44
_cell_angle_beta   96.44
_cell_angle_gamma   43.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaMn2Nb
_chemical_formula_sum   'La1 Mn2 Nb1'
_cell_volume   74.38
_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  0.54  0.0  0.07  1.0
  Mn  Mn1  1  0.63  0.0  0.04  1.0
  Mn  Mn2  1  0.45  0.0  0.1  1.0
  Nb  Nb3  1  0.0  0.0  0.0  1.0

data_LaMn2Nb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.09
_cell_length_b   4.21
_cell_length_c   6.19
_cell_angle_alpha   96.44
_cell_angle_beta   90.0
_cell_angle_gamma   111.58
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaMn2Nb
_chemical_formula_sum   'La1 Mn2 Nb1'
_cell_volume   74.38
_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  0.46  0.93  1.0
  Mn  Mn1  1  0.0  0.37  0.96  1.0
  Mn  Mn2  1  0.0  0.55  0.9  1.0
  Nb  Nb3  1  0.0  0.0  0.0  1.0

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