data_Sr2NbMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.73
_cell_length_b   7.73
_cell_length_c   4.34
_cell_angle_alpha   95.11
_cell_angle_beta   95.11
_cell_angle_gamma   24.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2NbMo
_chemical_formula_sum   'Sr2 Nb1 Mo1'
_cell_volume   106.74
_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
  Sr  Sr2  1  0.53  0.0  0.54  1.0
  Sr  Sr3  1  0.18  0.0  0.78  1.0
  Nb  Nb1  1  0.0  0.0  0.0  1.0
  Mo  Mo0  1  0.36  0.0  0.16  1.0

data_Sr2NbMo
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.27
_cell_length_b   4.34
_cell_length_c   7.73
_cell_angle_alpha   95.11
_cell_angle_beta   102.21
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2NbMo
_chemical_formula_sum   'Sr2 Nb1 Mo1'
_cell_volume   106.74
_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
  Sr  Sr0  1  0.0  0.54  0.53  1.0
  Sr  Sr1  1  0.0  0.78  0.18  1.0
  Nb  Nb2  1  0.0  0.0  0.0  1.0
  Mo  Mo3  1  0.0  0.16  0.36  1.0

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