data_MgV
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.5
_cell_length_b   2.72
_cell_length_c   5.47
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgV
_chemical_formula_sum   'Mg2 V2'
_cell_volume   67.0
_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
  Mg  Mg0  1  0.38  0.0  0.81  1.0
  Mg  Mg1  1  0.13  0.0  0.66  1.0
  V  V2  1  0.38  0.36  0.27  1.0
  V  V3  1  0.13  0.36  0.21  1.0

data_MgV
_symmetry_space_group_name_H-M   P2
_cell_length_a   4.5
_cell_length_b   2.72
_cell_length_c   5.47
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   3
_chemical_formula_structural   MgV
_chemical_formula_sum   'Mg2 V2'
_cell_volume   67.0
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.13  0.0  0.57  1.0
  V  V1  2  0.13  0.36  0.03  1.0

Mg Mg V V
Mg Mg V V 0 1 o o o 2 3 o o o 