data_LaV2Hg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.59
_cell_length_b   5.59
_cell_length_c   5.59
_cell_angle_alpha   140.57
_cell_angle_beta   128.04
_cell_angle_gamma   67.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaV2Hg
_chemical_formula_sum   'La1 V2 Hg1'
_cell_volume   86.2
_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  0.48  1.0
  V  V2  1  0.0  0.45  0.22  1.0
  V  V3  1  0.0  0.0  0.73  1.0
  Hg  Hg0  1  0.0  0.45  0.56  1.0

data_LaV2Hg
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.77
_cell_length_b   4.9
_cell_length_c   5.59
_cell_angle_alpha   115.98
_cell_angle_beta   109.72
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaV2Hg
_chemical_formula_sum   'La1 V2 Hg1'
_cell_volume   86.2
_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  La0  1  0.0  0.48  0.48  1.0
  V  V1  1  0.0  0.73  0.73  1.0
  V  V2  1  0.55  0.77  0.77  1.0
  Hg  Hg3  1  0.55  0.11  0.11  1.0

La V V Hg