data_MgV
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.76
_cell_length_b   5.76
_cell_length_c   4.39
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   152.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgV
_chemical_formula_sum   'Mg2 V2'
_cell_volume   67.57
_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  0.37  0.42  0.29  1.0
  Mg  Mg1  1  0.37  0.58  0.1  1.0
  V  V2  1  0.37  0.55  0.29  1.0
  V  V3  1  0.37  0.45  0.1  1.0

data_MgV
_symmetry_space_group_name_H-M   P-1
_cell_length_a   2.75
_cell_length_b   4.39
_cell_length_c   5.76
_cell_angle_alpha   90.0
_cell_angle_beta   103.8
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   MgV
_chemical_formula_sum   'Mg2 V2'
_cell_volume   67.57
_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  0.42  0.4  0.92  1.0
  V  V1  2  0.45  0.6  0.95  1.0

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