data_Hf2MgV
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.08
_cell_length_b   5.08
_cell_length_c   5.63
_cell_angle_alpha   96.31
_cell_angle_beta   96.31
_cell_angle_gamma   33.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2MgV
_chemical_formula_sum   'Hf2 Mg1 V1'
_cell_volume   80.64
_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
  Hf  Hf0  1  0.9  0.0  0.08  1.0
  Hf  Hf1  1  0.17  0.0  0.52  1.0
  Mg  Mg2  1  0.0  0.0  0.0  1.0
  V  V3  1  0.53  0.0  0.8  1.0

data_Hf2MgV
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.97
_cell_length_b   5.08
_cell_length_c   5.63
_cell_angle_alpha   96.31
_cell_angle_beta   90.0
_cell_angle_gamma   106.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2MgV
_chemical_formula_sum   'Hf2 Mg1 V1'
_cell_volume   80.64
_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
  Hf  Hf0  1  0.0  0.1  0.92  1.0
  Hf  Hf1  1  0.0  0.83  0.48  1.0
  Mg  Mg2  1  0.0  0.0  0.0  1.0
  V  V3  1  0.0  0.47  0.2  1.0

Hf Hf Mg V