data_LaVHg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.94
_cell_length_b   5.94
_cell_length_c   5.94
_cell_angle_alpha   142.97
_cell_angle_beta   142.97
_cell_angle_gamma   53.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaVHg
_chemical_formula_sum   'La1 V1 Hg1'
_cell_volume   75.57
_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
  La  La1  1  0.0  0.0  0.51  1.0
  V  V2  1  0.0  0.0  0.86  1.0
  Hg  Hg0  1  0.0  0.0  0.25  1.0

data_LaVHg
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.34
_cell_length_b   5.34
_cell_length_c   5.94
_cell_angle_alpha   90.0
_cell_angle_beta   116.69
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LaVHg
_chemical_formula_sum   'La2 V2 Hg2'
_cell_volume   151.13
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  La  La0  2  0.0  0.0  0.49  1.0
  V  V1  2  0.0  0.0  0.14  1.0
  Hg  Hg2  2  0.0  0.0  0.75  1.0

La V Hg
La V Hg 0 2 o o o 0 1 o o o 1 2 o o + 