data_VMo3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.25
_cell_length_b   6.25
_cell_length_c   6.26
_cell_angle_alpha   90.08
_cell_angle_beta   90.08
_cell_angle_gamma   89.73
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VMo3
_chemical_formula_sum   'V4 Mo12'
_cell_volume   244.18
_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
  V  V12  1  0.84  0.0  0.26  1.0
  V  V13  1  1.0  0.0  0.13  1.0
  V  V14  1  0.2  0.0  0.69  1.0
  V  V15  1  0.43  0.0  0.13  1.0
  Mo  Mo0  1  0.2  0.19  0.25  1.0
  Mo  Mo1  1  0.21  0.19  0.14  1.0
  Mo  Mo2  1  0.42  0.22  0.57  1.0
  Mo  Mo3  1  0.42  0.22  0.68  1.0
  Mo  Mo4  1  0.2  0.0  0.57  1.0
  Mo  Mo5  1  0.2  0.81  0.25  1.0
  Mo  Mo6  1  0.21  0.81  0.14  1.0
  Mo  Mo7  1  0.41  0.0  0.25  1.0
  Mo  Mo8  1  0.65  0.0  0.57  1.0
  Mo  Mo9  1  0.64  0.0  0.68  1.0
  Mo  Mo10  1  0.42  0.78  0.57  1.0
  Mo  Mo11  1  0.42  0.78  0.68  1.0

data_VMo3
_symmetry_space_group_name_H-M   Pm
_cell_length_a   6.25
_cell_length_b   6.25
_cell_length_c   6.26
_cell_angle_alpha   90.0
_cell_angle_beta   90.08
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   VMo3
_chemical_formula_sum   'V4 Mo12'
_cell_volume   244.18
_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
  V  V0  1  0.2  0.0  0.69  1.0
  V  V1  1  0.43  0.0  0.13  1.0
  V  V2  1  0.84  0.0  0.26  1.0
  V  V3  1  1.0  0.0  0.13  1.0
  Mo  Mo4  2  0.2  0.19  0.25  1.0
  Mo  Mo5  2  0.21  0.19  0.14  1.0
  Mo  Mo6  2  0.42  0.22  0.68  1.0
  Mo  Mo7  2  0.42  0.22  0.57  1.0
  Mo  Mo8  1  0.2  0.0  0.57  1.0
  Mo  Mo9  1  0.41  0.0  0.25  1.0
  Mo  Mo10  1  0.64  0.0  0.68  1.0
  Mo  Mo11  1  0.65  0.0  0.57  1.0

V V V V Mo Mo Mo Mo Mo Mo Mo Mo Mo Mo Mo Mo
V V V V Mo Mo Mo Mo Mo Mo Mo Mo Mo Mo Mo Mo 0 1 o o o 2 8 o o o 3 11 o o o 4 5 o o o 6 7 o o o 9 10 o o o 12 13 o o o 14 15 o o o 