data_LaHg2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.14
_cell_length_b   5.14
_cell_length_c   5.14
_cell_angle_alpha   120.67
_cell_angle_beta   120.67
_cell_angle_gamma   88.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaHg2Pt
_chemical_formula_sum   'La1 Hg2 Pt1'
_cell_volume   94.83
_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  La2  1  0.0  0.0  0.0  1.0
  Hg  Hg0  1  0.0  0.0  0.67  1.0
  Hg  Hg1  1  0.0  0.54  0.83  1.0
  Pt  Pt3  1  0.54  0.0  0.83  1.0

data_LaHg2Pt
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.08
_cell_length_b   5.08
_cell_length_c   5.14
_cell_angle_alpha   119.67
_cell_angle_beta   119.67
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaHg2Pt
_chemical_formula_sum   'La1 Hg2 Pt1'
_cell_volume   94.83
_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  0.0  0.0  1.0
  Hg  Hg1  1  0.33  0.0  0.33  1.0
  Hg  Hg2  1  0.71  0.54  0.71  1.0
  Pt  Pt3  1  0.17  0.0  0.71  1.0

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