data_LaNbMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.31
_cell_length_b   4.24
_cell_length_c   5.92
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaNbMo2
_chemical_formula_sum   'La1 Nb1 Mo2'
_cell_volume   83.09
_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  0.65  0.12  0.61  1.0
  Nb  Nb3  1  0.0  0.0  0.6  1.0
  Mo  Mo1  1  0.0  0.0  0.31  1.0
  Mo  Mo2  1  0.65  0.12  0.37  1.0

data_LaNbMo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.31
_cell_length_b   4.24
_cell_length_c   5.92
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaNbMo2
_chemical_formula_sum   'La1 Nb1 Mo2'
_cell_volume   83.09
_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  0.65  0.12  0.61  1.0
  Nb  Nb1  1  0.0  0.0  0.6  1.0
  Mo  Mo2  1  0.0  0.0  0.31  1.0
  Mo  Mo3  1  0.65  0.12  0.37  1.0

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