data_Hf2VMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.55
_cell_length_b   5.55
_cell_length_c   5.55
_cell_angle_alpha   145.58
_cell_angle_beta   129.79
_cell_angle_gamma   62.3
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2VMo
_chemical_formula_sum   'Hf2 V1 Mo1'
_cell_volume   73.33
_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  0.35  0.69  1.0
  Hf  Hf1  1  0.0  0.0  0.52  1.0
  V  V3  1  0.0  0.0  0.83  1.0
  Mo  Mo2  1  0.0  0.35  0.2  1.0

data_Hf2VMo
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.28
_cell_length_b   4.71
_cell_length_c   5.55
_cell_angle_alpha   115.1
_cell_angle_beta   107.21
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2VMo
_chemical_formula_sum   'Hf2 V1 Mo1'
_cell_volume   73.33
_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  0.52  0.52  1.0
  Hf  Hf1  1  0.65  0.34  0.34  1.0
  V  V2  1  0.0  0.83  0.83  1.0
  Mo  Mo3  1  0.65  0.85  0.85  1.0

Hf Hf V Mo