data_LaNb2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.05
_cell_length_b   4.35
_cell_length_c   6.57
_cell_angle_alpha   90.0
_cell_angle_beta   103.02
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaNb2Mo
_chemical_formula_sum   'La1 Nb2 Mo1'
_cell_volume   84.82
_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  0.78  0.0  0.2  1.0
  Nb  Nb2  1  0.14  0.17  0.25  1.0
  Nb  Nb3  1  0.43  0.17  0.15  1.0
  Mo  Mo1  1  0.0  0.0  0.0  1.0

data_LaNb2Mo
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.05
_cell_length_b   4.35
_cell_length_c   6.57
_cell_angle_alpha   90.0
_cell_angle_beta   103.02
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaNb2Mo
_chemical_formula_sum   'La1 Nb2 Mo1'
_cell_volume   84.82
_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  0.78  0.0  0.2  1.0
  Nb  Nb1  1  0.14  0.17  0.25  1.0
  Nb  Nb2  1  0.43  0.17  0.15  1.0
  Mo  Mo3  1  0.0  0.0  0.0  1.0

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