data_SrMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.98
_cell_length_b   5.98
_cell_length_c   7.85
_cell_angle_alpha   91.72
_cell_angle_beta   91.72
_cell_angle_gamma   31.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrMo2
_chemical_formula_sum   'Sr2 Mo4'
_cell_volume   147.6
_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  Sr4  1  0.99  0.0  0.91  1.0
  Sr  Sr5  1  0.66  0.0  0.33  1.0
  Mo  Mo0  1  0.42  0.0  0.15  1.0
  Mo  Mo1  1  0.65  0.0  0.56  1.0
  Mo  Mo2  1  0.02  0.0  0.12  1.0
  Mo  Mo3  1  0.51  0.0  0.17  1.0

data_SrMo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.27
_cell_length_b   5.98
_cell_length_c   7.85
_cell_angle_alpha   91.72
_cell_angle_beta   90.0
_cell_angle_gamma   105.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrMo2
_chemical_formula_sum   'Sr2 Mo4'
_cell_volume   147.6
_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  Sr0  1  0.0  0.01  0.09  1.0
  Sr  Sr1  1  0.0  0.34  0.67  1.0
  Mo  Mo2  1  0.0  0.35  0.44  1.0
  Mo  Mo3  1  0.0  0.49  0.83  1.0
  Mo  Mo4  1  0.0  0.58  0.85  1.0
  Mo  Mo5  1  0.0  0.98  0.88  1.0

Sr Sr Mo Mo Mo Mo
Sr Sr Mo Mo Mo Mo 0 4 + o + 1 5 o o o 1 3 o o o 2 5 o o o 