data_CoMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.78
_cell_length_b   6.78
_cell_length_c   3.22
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoMo2
_chemical_formula_sum   'Co3 Mo6'
_cell_volume   128.08
_cell_formula_units_Z   3
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  0.0  0.0  0.0  1.0
  Co  Co1  1  0.0  0.91  0.61  1.0
  Co  Co2  1  0.39  0.96  0.61  1.0
  Mo  Mo3  1  0.1  0.56  0.61  1.0
  Mo  Mo4  1  0.97  0.52  0.0  1.0
  Mo  Mo5  1  0.8  0.0  0.61  1.0
  Mo  Mo6  1  0.49  0.31  0.61  1.0
  Mo  Mo7  1  0.07  0.0  0.0  1.0
  Mo  Mo8  1  0.35  0.35  0.0  1.0

data_CoMo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.22
_cell_length_b   6.78
_cell_length_c   6.78
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoMo2
_chemical_formula_sum   'Co3 Mo6'
_cell_volume   128.08
_cell_formula_units_Z   3
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  0.0  0.0  0.0  1.0
  Co  Co1  1  0.61  0.0  0.91  1.0
  Co  Co2  1  0.61  0.39  0.96  1.0
  Mo  Mo3  1  -0.0  0.35  0.35  1.0
  Mo  Mo4  1  -0.0  0.97  0.52  1.0
  Mo  Mo5  1  0.0  0.07  0.0  1.0
  Mo  Mo6  1  0.61  0.1  0.56  1.0
  Mo  Mo7  1  0.61  0.49  0.31  1.0
  Mo  Mo8  1  0.61  0.8  0.0  1.0

Co Co Co Mo Mo Mo Mo Mo Mo