data_HfVZn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.0
_cell_length_b   5.0
_cell_length_c   4.86
_cell_angle_alpha   101.59
_cell_angle_beta   101.59
_cell_angle_gamma   33.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfVZn2
_chemical_formula_sum   'Hf1 V1 Zn2'
_cell_volume   66.12
_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  0.27  0.0  0.37  1.0
  V  V1  1  0.0  0.0  0.0  1.0
  Zn  Zn2  1  0.86  0.0  0.08  1.0
  Zn  Zn3  1  0.69  0.0  0.67  1.0

data_HfVZn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.91
_cell_length_b   4.86
_cell_length_c   5.0
_cell_angle_alpha   101.59
_cell_angle_beta   106.93
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfVZn2
_chemical_formula_sum   'Hf1 V1 Zn2'
_cell_volume   66.12
_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  0.37  0.27  1.0
  V  V1  1  0.0  0.0  0.0  1.0
  Zn  Zn2  1  0.0  0.08  0.86  1.0
  Zn  Zn3  1  0.0  0.67  0.69  1.0

Hf V Zn Zn