data_CuHgPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.85
_cell_length_b   4.85
_cell_length_c   4.95
_cell_angle_alpha   99.81
_cell_angle_beta   99.81
_cell_angle_gamma   34.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuHgPt2
_chemical_formula_sum   'Cu1 Hg1 Pt2'
_cell_volume   65.04
_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
  Cu  Cu0  1  0.22  0.0  0.52  1.0
  Hg  Hg1  1  0.73  0.0  0.24  1.0
  Pt  Pt2  1  0.34  0.0  0.81  1.0
  Pt  Pt3  1  0.63  0.0  0.62  1.0

data_CuHgPt2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.88
_cell_length_b   4.85
_cell_length_c   4.95
_cell_angle_alpha   99.81
_cell_angle_beta   90.0
_cell_angle_gamma   107.3
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuHgPt2
_chemical_formula_sum   'Cu1 Hg1 Pt2'
_cell_volume   65.04
_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
  Cu  Cu0  1  0.0  0.78  0.48  1.0
  Hg  Hg1  1  0.0  0.27  0.76  1.0
  Pt  Pt2  1  0.0  0.37  0.38  1.0
  Pt  Pt3  1  0.0  0.66  0.19  1.0

Cu Hg Pt Pt
Cu Hg Pt Pt 0 2 o o o 0 3 o o o 1 3 o o o 2 3 o o o 