data_MnV
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.12
_cell_length_b   4.12
_cell_length_c   4.12
_cell_angle_alpha   57.14
_cell_angle_beta   57.14
_cell_angle_gamma   57.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnV
_chemical_formula_sum   'Mn2 V2'
_cell_volume   46.27
_cell_formula_units_Z   2
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  0.0  0.03  1.0
  Mn  Mn1  1  0.0  0.0  0.28  1.0
  V  V2  1  0.0  0.0  0.43  1.0
  V  V3  1  0.0  0.0  0.88  1.0

data_MnV
_symmetry_space_group_name_H-M   C2/m
_cell_length_a   6.83
_cell_length_b   3.94
_cell_length_c   4.12
_cell_angle_alpha   90.0
_cell_angle_beta   123.52
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   12
_chemical_formula_structural   MnV
_chemical_formula_sum   'Mn4 V4'
_cell_volume   92.54
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, -z'
  3  '-x, y, -z'
  4  'x, -y, z'
  5  'x+1/2, y+1/2, z'
  6  '-x+1/2, -y+1/2, -z'
  7  '-x+1/2, y+1/2, -z'
  8  '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
  Mn  Mn0  4  0.0  0.0  0.12  1.0
  V  V1  4  0.0  0.0  0.27  1.0

Mn Mn V V