data_VCu2Hg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.65
_cell_length_b   4.65
_cell_length_c   4.96
_cell_angle_alpha   99.83
_cell_angle_beta   99.83
_cell_angle_gamma   34.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VCu2Hg
_chemical_formula_sum   'V1 Cu2 Hg1'
_cell_volume   59.73
_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
  V  V3  1  0.42  0.0  0.07  1.0
  Cu  Cu0  1  0.86  0.0  0.02  1.0
  Cu  Cu1  1  0.61  0.0  0.75  1.0
  Hg  Hg2  1  0.01  0.0  0.48  1.0

data_VCu2Hg
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.75
_cell_length_b   4.65
_cell_length_c   4.96
_cell_angle_alpha   99.83
_cell_angle_beta   90.0
_cell_angle_gamma   107.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VCu2Hg
_chemical_formula_sum   'V1 Cu2 Hg1'
_cell_volume   59.73
_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
  V  V0  1  0.0  0.58  0.93  1.0
  Cu  Cu1  1  0.0  0.14  0.98  1.0
  Cu  Cu2  1  0.0  0.39  0.25  1.0
  Hg  Hg3  1  0.0  0.99  0.52  1.0

V Cu Cu Hg
V Cu Cu Hg 0 1 o o o 0 2 o o - 0 3 o o o 1 2 o o - 1 3 + o o 1 3 + o - 2 3 + o o 2 3 o o o 3 3 + - o 