data_Hg2MoPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.83
_cell_length_b   4.83
_cell_length_c   5.67
_cell_angle_alpha   97.44
_cell_angle_beta   97.44
_cell_angle_gamma   34.88
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hg2MoPt
_chemical_formula_sum   'Hg2 Mo1 Pt1'
_cell_volume   75.0
_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
  Hg  Hg0  1  0.02  0.0  0.03  1.0
  Hg  Hg1  1  0.68  0.0  0.16  1.0
  Mo  Mo2  1  0.23  0.0  0.61  1.0
  Pt  Pt3  1  0.75  0.0  0.62  1.0

data_Hg2MoPt
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.9
_cell_length_b   4.83
_cell_length_c   5.67
_cell_angle_alpha   97.44
_cell_angle_beta   90.0
_cell_angle_gamma   107.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hg2MoPt
_chemical_formula_sum   'Hg2 Mo1 Pt1'
_cell_volume   75.0
_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
  Hg  Hg0  1  0.0  0.32  0.84  1.0
  Hg  Hg1  1  0.0  0.98  0.97  1.0
  Mo  Mo2  1  0.0  0.77  0.39  1.0
  Pt  Pt3  1  0.0  0.25  0.38  1.0

Hg Hg Mo Pt
Hg Hg Mo Pt 0 1 - o o 0 2 o o - 0 3 - o - 1 3 o o o 2 2 + - o 2 3 - o o 2 3 o o o 3 3 + - o 