data_HfMgV2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.2
_cell_length_b   5.2
_cell_length_c   2.8
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   113.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfMgV2
_chemical_formula_sum   'Hf1 Mg1 V2'
_cell_volume   69.39
_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  0.85  0.0  0.0  1.0
  Mg  Mg1  1  0.0  0.0  0.0  1.0
  V  V2  1  0.43  0.17  0.4  1.0
  V  V3  1  0.43  0.83  0.4  1.0

data_HfMgV2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.8
_cell_length_b   5.2
_cell_length_c   5.2
_cell_angle_alpha   113.42
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfMgV2
_chemical_formula_sum   'Hf1 Mg1 V2'
_cell_volume   69.39
_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  0.85  0.0  1.0
  Mg  Mg1  1  0.0  0.0  0.0  1.0
  V  V2  1  0.4  0.43  0.17  1.0
  V  V3  1  0.4  0.43  0.83  1.0

Hf Mg V V
Hf Mg V V 0 1 + o o 2 3 o - o 