data_Co2HgPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.11
_cell_length_b   5.33
_cell_length_c   5.33
_cell_angle_alpha   30.59
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co2HgPt
_chemical_formula_sum   'Co2 Hg1 Pt1'
_cell_volume   59.27
_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
  Co  Co0  1  0.05  0.0  0.0  1.0
  Co  Co1  1  0.0  0.0  0.17  1.0
  Hg  Hg2  1  0.05  0.0  0.56  1.0
  Pt  Pt3  1  0.0  0.0  0.06  1.0

data_Co2HgPt
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.81
_cell_length_b   4.11
_cell_length_c   5.33
_cell_angle_alpha   90.0
_cell_angle_beta   105.29
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co2HgPt
_chemical_formula_sum   'Co2 Hg1 Pt1'
_cell_volume   59.27
_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
  Co  Co0  1  0.83  0.0  0.83  1.0
  Co  Co1  1  1.0  0.05  1.0  1.0
  Hg  Hg2  1  0.44  0.05  0.44  1.0
  Pt  Pt3  1  0.94  0.0  0.94  1.0

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