data_VMoCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.89
_cell_length_b   5.89
_cell_length_c   5.89
_cell_angle_alpha   150.94
_cell_angle_beta   150.94
_cell_angle_gamma   41.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VMoCl
_chemical_formula_sum   'V1 Mo1 Cl1'
_cell_volume   48.11
_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  V2  1  0.0  0.0  0.46  1.0
  Mo  Mo1  1  0.0  0.0  0.49  1.0
  Cl  Cl0  1  0.0  0.0  0.07  1.0

data_VMoCl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.18
_cell_length_b   4.18
_cell_length_c   5.89
_cell_angle_alpha   90.0
_cell_angle_beta   110.78
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   VMoCl
_chemical_formula_sum   'V2 Mo2 Cl2'
_cell_volume   96.22
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.0  0.0  0.54  1.0
  Mo  Mo1  2  0.0  0.0  0.51  1.0
  Cl  Cl2  2  0.0  0.0  0.93  1.0

V Mo Cl