data_LaHgPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.63
_cell_length_b   5.63
_cell_length_c   5.63
_cell_angle_alpha   138.01
_cell_angle_beta   134.1
_cell_angle_gamma   63.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaHgPt2
_chemical_formula_sum   'La1 Hg1 Pt2'
_cell_volume   84.7
_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  0.18  1.0
  Hg  Hg0  1  0.02  0.0  0.67  1.0
  Pt  Pt2  1  0.02  0.0  0.16  1.0
  Pt  Pt3  1  0.0  0.0  0.33  1.0

data_LaHgPt2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.04
_cell_length_b   4.39
_cell_length_c   5.63
_cell_angle_alpha   112.95
_cell_angle_beta   111.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaHgPt2
_chemical_formula_sum   'La1 Hg1 Pt2'
_cell_volume   84.7
_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  0.82  0.82  0.82  1.0
  Hg  Hg1  1  0.35  0.33  0.35  1.0
  Pt  Pt2  1  0.67  0.67  0.67  1.0
  Pt  Pt3  1  0.86  0.84  0.86  1.0

La Hg Pt Pt
La Hg Pt Pt 0 2 o o o 0 3 o o o 1 3 o o o 2 3 o o o 