data_Cr5Mo3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.97
_cell_length_b   5.97
_cell_length_c   5.97
_cell_angle_alpha   89.96
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr5Mo3
_chemical_formula_sum   'Cr10 Mo6'
_cell_volume   212.72
_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
  Cr  Cr0  1  0.0  0.0  0.39  1.0
  Cr  Cr1  1  0.0  0.07  0.35  1.0
  Cr  Cr2  1  0.46  0.89  0.22  1.0
  Cr  Cr3  1  0.51  0.89  0.22  1.0
  Cr  Cr4  1  0.0  0.93  0.35  1.0
  Cr  Cr5  1  0.99  0.0  0.25  1.0
  Cr  Cr6  1  0.45  0.0  0.34  1.0
  Cr  Cr7  1  0.52  0.0  0.34  1.0
  Cr  Cr8  1  0.46  0.11  0.22  1.0
  Cr  Cr9  1  0.51  0.11  0.22  1.0
  Mo  Mo10  1  0.99  0.0  0.4  1.0
  Mo  Mo11  1  0.99  0.06  0.32  1.0
  Mo  Mo12  1  0.46  0.0  0.11  1.0
  Mo  Mo13  1  0.51  0.0  0.11  1.0
  Mo  Mo14  1  0.99  0.94  0.32  1.0
  Mo  Mo15  1  0.0  0.0  0.28  1.0

data_Cr5Mo3
_symmetry_space_group_name_H-M   Pm
_cell_length_a   5.97
_cell_length_b   5.97
_cell_length_c   5.97
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Cr5Mo3
_chemical_formula_sum   'Cr10 Mo6'
_cell_volume   212.72
_cell_formula_units_Z   2
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
  Cr  Cr0  2  0.22  0.11  0.46  1.0
  Cr  Cr1  2  0.22  0.11  0.51  1.0
  Cr  Cr2  2  0.35  0.07  0.0  1.0
  Cr  Cr3  1  0.25  0.0  0.99  1.0
  Cr  Cr4  1  0.34  0.0  0.45  1.0
  Cr  Cr5  1  0.34  0.0  0.52  1.0
  Cr  Cr6  1  0.39  0.0  0.0  1.0
  Mo  Mo7  2  0.32  0.06  0.99  1.0
  Mo  Mo8  1  0.11  0.0  0.46  1.0
  Mo  Mo9  1  0.11  0.0  0.51  1.0
  Mo  Mo10  1  0.28  0.0  0.0  1.0
  Mo  Mo11  1  0.4  0.0  0.99  1.0

Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Mo Mo Mo Mo Mo Mo