data_MgVCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.95
_cell_length_b   6.72
_cell_length_c   3.0
_cell_angle_alpha   81.68
_cell_angle_beta   73.0
_cell_angle_gamma   25.32
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgVCl
_chemical_formula_sum   'Mg1 V1 Cl1'
_cell_volume   54.82
_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
  Mg  Mg1  1  0.71  0.47  0.85  1.0
  V  V2  1  0.71  0.47  0.46  1.0
  Cl  Cl0  1  0.71  0.47  0.67  1.0

data_MgVCl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.42
_cell_length_b   12.99
_cell_length_c   3.0
_cell_angle_alpha   90.0
_cell_angle_beta   124.67
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MgVCl
_chemical_formula_sum   'Mg2 V2 Cl2'
_cell_volume   109.64
_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
  Mg  Mg0  2  0.21  0.5  0.56  1.0
  V  V1  2  0.21  0.5  0.17  1.0
  Cl  Cl2  2  0.21  0.5  0.38  1.0

Mg V Cl
Mg V Cl 0 2 o o o 1 2 o o o 