data_VMo3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.44
_cell_length_b   5.44
_cell_length_c   4.91
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VMo3
_chemical_formula_sum   'V2 Mo6'
_cell_volume   125.57
_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
  V  V6  1  0.72  0.57  0.68  1.0
  V  V7  1  0.0  0.14  0.23  1.0
  Mo  Mo0  1  0.0  0.58  0.68  1.0
  Mo  Mo1  1  0.72  0.13  0.23  1.0
  Mo  Mo2  1  0.35  0.92  0.68  1.0
  Mo  Mo3  1  0.37  0.79  0.23  1.0
  Mo  Mo4  1  0.65  0.92  0.68  1.0
  Mo  Mo5  1  0.07  0.79  0.23  1.0

data_VMo3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.91
_cell_length_b   5.44
_cell_length_c   5.44
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   VMo3
_chemical_formula_sum   'V2 Mo6'
_cell_volume   125.57
_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
  V  V0  2  0.23  0.36  0.22  1.0
  Mo  Mo1  2  0.23  0.29  0.57  1.0
  Mo  Mo2  2  0.23  0.64  0.22  1.0
  Mo  Mo3  2  0.23  0.99  0.57  1.0

V V Mo Mo Mo Mo Mo Mo
V V Mo Mo Mo Mo Mo Mo 0 2 + o o 1 3 - o o 2 4 o o o 3 5 o - o 4 6 o o o 5 7 o o o 