data_HfV2Hg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.09
_cell_length_b   5.09
_cell_length_c   5.09
_cell_angle_alpha   132.96
_cell_angle_beta   132.96
_cell_angle_gamma   68.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfV2Hg
_chemical_formula_sum   'Hf1 V2 Hg1'
_cell_volume   69.45
_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  0.0  0.2  1.0
  V  V2  1  0.0  0.0  0.0  1.0
  V  V3  1  0.03  0.0  0.1  1.0
  Hg  Hg1  1  0.0  0.03  0.1  1.0

data_HfV2Hg
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.06
_cell_length_b   4.06
_cell_length_c   5.09
_cell_angle_alpha   113.52
_cell_angle_beta   113.52
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfV2Hg
_chemical_formula_sum   'Hf1 V2 Hg1'
_cell_volume   69.45
_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  0.8  0.0  0.8  1.0
  V  V1  1  0.0  0.0  0.0  1.0
  V  V2  1  0.9  0.0  0.93  1.0
  Hg  Hg3  1  0.93  0.03  0.93  1.0

Hf V V Hg