data_La2NbMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.21
_cell_length_b   3.21
_cell_length_c   9.71
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   113.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2NbMo
_chemical_formula_sum   'La2 Nb1 Mo1'
_cell_volume   91.67
_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  0.76  0.0  0.53  1.0
  La  La1  1  0.76  0.0  0.17  1.0
  Nb  Nb3  1  0.0  0.0  0.0  1.0
  Mo  Mo2  1  0.0  0.0  0.85  1.0

data_La2NbMo
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.21
_cell_length_b   3.21
_cell_length_c   9.71
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   113.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2NbMo
_chemical_formula_sum   'La2 Nb1 Mo1'
_cell_volume   91.67
_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  0.76  0.0  0.17  1.0
  La  La1  1  0.76  0.0  0.53  1.0
  Nb  Nb2  1  0.0  0.0  0.0  1.0
  Mo  Mo3  1  0.0  0.0  0.85  1.0

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