data_MnV2Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.04
_cell_length_b   3.9
_cell_length_c   4.08
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnV2Ni
_chemical_formula_sum   'Mn1 V2 Ni1'
_cell_volume   48.44
_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  0.52  0.95  0.0  1.0
  V  V2  1  0.0  0.0  0.0  1.0
  V  V3  1  0.52  0.0  0.04  1.0
  Ni  Ni1  1  0.0  0.95  0.04  1.0

data_MnV2Ni
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.04
_cell_length_b   3.9
_cell_length_c   4.08
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnV2Ni
_chemical_formula_sum   'Mn1 V2 Ni1'
_cell_volume   48.44
_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  0.52  0.95  0.0  1.0
  V  V1  1  0.0  0.0  0.0  1.0
  V  V2  1  0.52  0.0  0.04  1.0
  Ni  Ni3  1  0.0  0.95  0.04  1.0

Mn V V Ni
Mn V V Ni 0 2 o + o 1 3 o - o 