data_SrMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.52
_cell_length_b   4.52
_cell_length_c   8.47
_cell_angle_alpha   95.79
_cell_angle_beta   95.79
_cell_angle_gamma   46.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrMo
_chemical_formula_sum   'Sr2 Mo2'
_cell_volume   124.37
_cell_formula_units_Z   2
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  0.79  0.0  0.93  1.0
  Sr  Sr3  1  0.58  0.0  0.48  1.0
  Mo  Mo0  1  0.47  0.0  0.11  1.0
  Mo  Mo1  1  0.9  0.0  0.3  1.0

data_SrMo
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.56
_cell_length_b   4.52
_cell_length_c   8.47
_cell_angle_alpha   95.79
_cell_angle_beta   90.0
_cell_angle_gamma   113.2
_symmetry_Int_Tables_number   2
_chemical_formula_structural   SrMo
_chemical_formula_sum   'Sr2 Mo2'
_cell_volume   124.37
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.0  0.11  0.22  1.0
  Mo  Mo1  2  0.0  0.21  0.6  1.0

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