data_Co2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.19
_cell_length_b   3.63
_cell_length_c   7.74
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co2Mo
_chemical_formula_sum   'Co8 Mo4'
_cell_volume   146.11
_cell_formula_units_Z   4
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
  Co  Co0  1  0.63  0.91  0.91  1.0
  Co  Co1  1  0.68  0.91  0.5  1.0
  Co  Co2  1  0.92  0.73  0.63  1.0
  Co  Co3  1  0.97  0.73  0.78  1.0
  Co  Co4  1  0.22  0.91  0.96  1.0
  Co  Co5  1  0.27  0.91  0.11  1.0
  Co  Co6  1  0.52  0.73  0.24  1.0
  Co  Co7  1  0.57  0.73  0.83  1.0
  Mo  Mo8  1  0.78  0.91  0.02  1.0
  Mo  Mo9  1  0.82  0.73  0.15  1.0
  Mo  Mo10  1  0.38  0.91  0.6  1.0
  Mo  Mo11  1  0.41  0.73  0.73  1.0

data_Co2Mo
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.63
_cell_length_b   5.19
_cell_length_c   7.74
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Co2Mo
_chemical_formula_sum   'Co8 Mo4'
_cell_volume   146.11
_cell_formula_units_Z   4
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
  Co  Co0  2  0.09  0.63  0.09  1.0
  Co  Co1  2  0.09  0.68  0.24  1.0
  Co  Co2  2  0.09  0.03  0.04  1.0
  Co  Co3  2  0.09  0.08  0.63  1.0
  Mo  Mo4  2  0.09  0.78  0.73  1.0
  Mo  Mo5  2  0.09  0.18  0.15  1.0

Co Co Co Co Co Co Co Co Mo Mo Mo Mo