data_SrNbMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.65
_cell_length_b   10.65
_cell_length_c   10.65
_cell_angle_alpha   15.91
_cell_angle_beta   15.91
_cell_angle_gamma   15.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrNbMo2
_chemical_formula_sum   'Sr1 Nb1 Mo2'
_cell_volume   79.03
_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  Sr3  1  0.0  0.0  0.0  1.0
  Nb  Nb2  1  0.0  0.0  0.76  1.0
  Mo  Mo0  1  0.0  0.0  0.88  1.0
  Mo  Mo1  1  0.0  0.0  0.65  1.0

data_SrNbMo2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.1
_cell_length_b   2.95
_cell_length_c   10.65
_cell_angle_alpha   90.0
_cell_angle_beta   99.2
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SrNbMo2
_chemical_formula_sum   'Sr2 Nb2 Mo4'
_cell_volume   158.05
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Nb  Nb1  2  0.0  0.0  0.24  1.0
  Mo  Mo2  2  0.0  0.0  0.12  1.0
  Mo  Mo3  2  0.0  0.0  0.35  1.0

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