data_SrCo2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.25
_cell_length_b   9.25
_cell_length_c   9.25
_cell_angle_alpha   18.31
_cell_angle_beta   18.31
_cell_angle_gamma   18.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrCo2Mo
_chemical_formula_sum   'Sr1 Co2 Mo1'
_cell_volume   68.19
_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  0.04  1.0
  Co  Co0  1  0.0  0.0  0.35  1.0
  Co  Co1  1  0.0  0.0  0.4  1.0
  Mo  Mo2  1  0.0  0.0  0.12  1.0

data_SrCo2Mo
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.1
_cell_length_b   2.94
_cell_length_c   9.25
_cell_angle_alpha   90.0
_cell_angle_beta   100.58
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SrCo2Mo
_chemical_formula_sum   'Sr2 Co4 Mo2'
_cell_volume   136.37
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  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  0.96  1.0
  Co  Co1  2  0.0  0.0  0.6  1.0
  Co  Co2  2  0.0  0.0  0.65  1.0
  Mo  Mo3  2  0.0  0.0  0.88  1.0

Sr Co Co Mo
Sr Co Co Mo 0 3 o o o 1 2 o o o 
SrMoCo2 crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two SrMoCo2 clusters. Sr(1) is bonded in a single-bond geometry to one Mo(1) atom. The Sr(1)-Mo(1) bond length is 0.68 Å. Mo(1) is bonded in a single-bond geometry to one Sr(1) and one Co(1) atom. The Mo(1)-Co(1) bond length is 2.15 Å. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a distorted linear geometry to one Mo(1) and one Co(2) atom. The Co(1)-Co(2) bond length is 0.48 Å. In the second Co site, Co(2) is bonded in a single-bond geometry to one Co(1) atom.