data_CoMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.13
_cell_length_b   5.13
_cell_length_c   8.13
_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   'Co4 Mo8'
_cell_volume   185.35
_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  0.0  0.96  0.52  1.0
  Co  Co1  1  0.0  0.96  0.55  1.0
  Co  Co2  1  0.56  0.48  0.58  1.0
  Co  Co3  1  0.56  0.48  0.62  1.0
  Mo  Mo4  1  0.0  0.0  0.0  1.0
  Mo  Mo5  1  0.0  0.0  0.07  1.0
  Mo  Mo6  1  0.0  0.53  0.1  1.0
  Mo  Mo7  1  0.76  0.68  0.1  1.0
  Mo  Mo8  1  0.33  0.77  0.03  1.0
  Mo  Mo9  1  0.24  0.68  0.1  1.0
  Mo  Mo10  1  0.8  0.77  0.03  1.0
  Mo  Mo11  1  0.56  0.91  0.03  1.0

data_CoMo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.13
_cell_length_b   5.13
_cell_length_c   8.13
_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   'Co4 Mo8'
_cell_volume   185.35
_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  0.0  0.96  0.52  1.0
  Co  Co1  1  0.0  0.96  0.55  1.0
  Co  Co2  1  0.56  0.48  0.58  1.0
  Co  Co3  1  0.56  0.48  0.62  1.0
  Mo  Mo4  1  0.0  0.0  0.0  1.0
  Mo  Mo5  1  0.0  0.0  0.07  1.0
  Mo  Mo6  1  0.0  0.53  0.1  1.0
  Mo  Mo7  1  0.24  0.68  0.1  1.0
  Mo  Mo8  1  0.33  0.77  0.03  1.0
  Mo  Mo9  1  0.56  0.91  0.03  1.0
  Mo  Mo10  1  0.76  0.68  0.1  1.0
  Mo  Mo11  1  0.8  0.77  0.03  1.0

Co Co Co Co Mo Mo Mo Mo Mo Mo Mo Mo
Co Co Co Co Mo Mo Mo Mo Mo Mo Mo Mo 0 1 o o o 2 3 o o o 4 5 o o o 6 9 o o o 7 10 o o o 8 9 o o o 8 11 o o o 