data_VMo2C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.12
_cell_length_b   5.12
_cell_length_c   5.12
_cell_angle_alpha   141.96
_cell_angle_beta   141.96
_cell_angle_gamma   54.9
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VMo2C
_chemical_formula_sum   'V1 Mo2 C1'
_cell_volume   50.65
_cell_formula_units_Z   1
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  V3  1  0.0  0.67  0.27  1.0
  Mo  Mo1  1  0.67  0.0  0.27  1.0
  Mo  Mo2  1  0.0  0.0  0.54  1.0
  C  C0  1  0.0  0.0  0.0  1.0

data_VMo2C
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.34
_cell_length_b   3.34
_cell_length_c   5.12
_cell_angle_alpha   109.02
_cell_angle_beta   109.02
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VMo2C
_chemical_formula_sum   'V1 Mo2 C1'
_cell_volume   50.65
_cell_formula_units_Z   1
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  V0  1  0.4  0.67  0.4  1.0
  Mo  Mo1  1  0.46  0.0  0.46  1.0
  Mo  Mo2  1  0.73  0.0  0.4  1.0
  C  C3  1  0.0  0.0  0.0  1.0

V Mo Mo C
V Mo Mo C 0 2 o + o 0 3 o o o 0 3 o + + 0 3 o + o 1 2 + o o 1 3 + o + 1 3 + o o 1 3 o o o 2 3 o o + 2 3 o o o 