data_MgV2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.98
_cell_length_b   2.98
_cell_length_c   8.17
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   113.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgV2Cl
_chemical_formula_sum   'Mg1 V2 Cl1'
_cell_volume   66.33
_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  0.0  0.0  0.06  1.0
  V  V2  1  0.63  0.0  0.95  1.0
  V  V3  1  0.0  0.0  0.26  1.0
  Cl  Cl0  1  0.63  0.0  0.16  1.0

data_MgV2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.98
_cell_length_b   2.98
_cell_length_c   8.17
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   113.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgV2Cl
_chemical_formula_sum   'Mg1 V2 Cl1'
_cell_volume   66.33
_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  Mg0  1  0.0  0.0  0.06  1.0
  V  V1  1  0.0  0.0  0.26  1.0
  V  V2  1  0.63  0.0  0.95  1.0
  Cl  Cl3  1  0.63  0.0  0.16  1.0

Mg V V Cl