data_ZrVHg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.48
_cell_length_b   5.48
_cell_length_c   5.48
_cell_angle_alpha   147.0
_cell_angle_beta   139.83
_cell_angle_gamma   52.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrVHg
_chemical_formula_sum   'Zr1 V1 Hg1'
_cell_volume   57.48
_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
  Zr  Zr2  1  0.0  0.0  0.17  1.0
  V  V1  1  0.0  0.0  0.54  1.0
  Hg  Hg0  1  0.0  0.0  0.1  1.0

data_ZrVHg
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.11
_cell_length_b   3.76
_cell_length_c   5.48
_cell_angle_alpha   110.08
_cell_angle_beta   106.5
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrVHg
_chemical_formula_sum   'Zr1 V1 Hg1'
_cell_volume   57.48
_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
  Zr  Zr0  1  0.83  0.83  0.83  1.0
  V  V1  1  0.46  0.46  0.46  1.0
  Hg  Hg2  1  0.9  0.9  0.9  1.0

Zr V Hg