data_V2CrHg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.98
_cell_length_b   4.98
_cell_length_c   4.98
_cell_angle_alpha   142.46
_cell_angle_beta   127.92
_cell_angle_gamma   65.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2CrHg
_chemical_formula_sum   'V2 Cr1 Hg1'
_cell_volume   58.6
_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  V2  1  0.0  0.0  0.14  1.0
  V  V3  1  0.6  0.0  0.17  1.0
  Cr  Cr0  1  0.0  0.0  1.0  1.0
  Hg  Hg1  1  0.0  0.19  0.06  1.0

data_V2CrHg
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.21
_cell_length_b   4.37
_cell_length_c   4.98
_cell_angle_alpha   116.04
_cell_angle_beta   108.77
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2CrHg
_chemical_formula_sum   'V2 Cr1 Hg1'
_cell_volume   58.6
_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  0.14  0.14  1.0
  V  V1  1  0.0  0.17  0.56  1.0
  Cr  Cr2  1  0.0  1.0  1.0  1.0
  Hg  Hg3  1  0.81  0.87  0.87  1.0

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