data_CaHgPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.76
_cell_length_b   4.76
_cell_length_c   3.56
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaHgPt
_chemical_formula_sum   'Ca1 Hg1 Pt1'
_cell_volume   69.79
_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
  Ca  Ca0  1  0.0  0.0  0.01  1.0
  Hg  Hg1  1  0.38  0.37  0.73  1.0
  Pt  Pt2  1  0.0  0.75  0.82  1.0

data_CaHgPt
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.56
_cell_length_b   4.76
_cell_length_c   4.76
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaHgPt
_chemical_formula_sum   'Ca1 Hg1 Pt1'
_cell_volume   69.79
_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
  Ca  Ca0  1  0.01  0.0  0.0  1.0
  Hg  Hg1  1  0.73  0.38  0.37  1.0
  Pt  Pt2  1  0.82  0.0  0.75  1.0

Ca Hg Pt