data_Mg3V
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.14
_cell_length_b   6.14
_cell_length_c   9.94
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg3V
_chemical_formula_sum   'Mg12 V4'
_cell_volume   324.19
_cell_formula_units_Z   4
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  0.47  0.66  0.0  1.0
  Mg  Mg1  1  0.47  0.66  0.97  1.0
  Mg  Mg2  1  0.0  0.72  0.45  1.0
  Mg  Mg3  1  0.42  0.46  0.45  1.0
  Mg  Mg4  1  0.49  0.86  0.48  1.0
  Mg  Mg5  1  0.07  0.0  0.0  1.0
  Mg  Mg6  1  0.07  0.0  0.97  1.0
  Mg  Mg7  1  0.53  0.66  0.0  1.0
  Mg  Mg8  1  0.53  0.66  0.97  1.0
  Mg  Mg9  1  0.58  0.46  0.45  1.0
  Mg  Mg10  1  0.65  0.86  0.48  1.0
  Mg  Mg11  1  0.07  0.59  0.48  1.0
  V  V12  1  0.0  0.0  0.0  1.0
  V  V13  1  0.0  0.0  0.97  1.0
  V  V14  1  0.0  0.54  0.48  1.0
  V  V15  1  0.07  0.77  0.45  1.0

data_Mg3V
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.14
_cell_length_b   6.14
_cell_length_c   9.94
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg3V
_chemical_formula_sum   'Mg12 V4'
_cell_volume   324.19
_cell_formula_units_Z   4
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  0.0  0.72  0.45  1.0
  Mg  Mg1  1  0.07  0.0  0.0  1.0
  Mg  Mg2  1  0.07  0.0  0.97  1.0
  Mg  Mg3  1  0.07  0.59  0.48  1.0
  Mg  Mg4  1  0.42  0.46  0.45  1.0
  Mg  Mg5  1  0.47  0.66  0.0  1.0
  Mg  Mg6  1  0.47  0.66  0.97  1.0
  Mg  Mg7  1  0.49  0.86  0.48  1.0
  Mg  Mg8  1  0.53  0.66  0.0  1.0
  Mg  Mg9  1  0.53  0.66  0.97  1.0
  Mg  Mg10  1  0.58  0.46  0.45  1.0
  Mg  Mg11  1  0.65  0.86  0.48  1.0
  V  V12  1  0.0  0.0  0.0  1.0
  V  V13  1  0.0  0.0  0.97  1.0
  V  V14  1  0.0  0.54  0.48  1.0
  V  V15  1  0.07  0.77  0.45  1.0

Mg Mg Mg Mg Mg Mg Mg Mg Mg Mg Mg Mg V V V V