data_MnV2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.45
_cell_length_b   4.45
_cell_length_c   4.36
_cell_angle_alpha   93.28
_cell_angle_beta   93.28
_cell_angle_gamma   37.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnV2Cl
_chemical_formula_sum   'Mn1 V2 Cl1'
_cell_volume   52.47
_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
  Mn  Mn1  1  0.08  0.0  0.18  1.0
  V  V2  1  0.87  0.0  0.17  1.0
  V  V3  1  0.29  0.0  0.18  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_MnV2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.86
_cell_length_b   4.36
_cell_length_c   4.45
_cell_angle_alpha   93.28
_cell_angle_beta   108.75
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnV2Cl
_chemical_formula_sum   'Mn1 V2 Cl1'
_cell_volume   52.47
_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
  Mn  Mn0  1  0.0  0.18  0.08  1.0
  V  V1  1  0.0  0.17  0.87  1.0
  V  V2  1  0.0  0.18  0.29  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

Mn V V Cl