data_MgNbMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.72
_cell_length_b   4.72
_cell_length_c   2.72
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgNbMo
_chemical_formula_sum   'Mg1 Nb1 Mo1'
_cell_volume   52.43
_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
  Mg  Mg0  1  0.0  0.0  0.03  1.0
  Nb  Nb2  1  0.0  0.72  0.74  1.0
  Mo  Mo1  1  0.36  0.36  0.95  1.0

data_MgNbMo
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.72
_cell_length_b   4.72
_cell_length_c   4.72
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgNbMo
_chemical_formula_sum   'Mg1 Nb1 Mo1'
_cell_volume   52.43
_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
  Mg  Mg0  1  0.03  0.0  0.0  1.0
  Nb  Nb1  1  0.74  0.0  0.72  1.0
  Mo  Mo2  1  0.95  0.36  0.36  1.0

Mg Nb Mo
Mg Nb Mo 0 1 o - - 0 2 o o - 