data_NiHg2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.67
_cell_length_b   4.67
_cell_length_c   5.31
_cell_angle_alpha   101.39
_cell_angle_beta   101.39
_cell_angle_gamma   38.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiHg2Pt
_chemical_formula_sum   'Ni1 Hg2 Pt1'
_cell_volume   70.24
_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
  Ni  Ni2  1  0.0  0.0  0.0  1.0
  Hg  Hg0  1  0.3  0.0  0.24  1.0
  Hg  Hg1  1  0.41  0.0  0.95  1.0
  Pt  Pt3  1  0.85  0.0  0.6  1.0

data_NiHg2Pt
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.07
_cell_length_b   4.67
_cell_length_c   5.31
_cell_angle_alpha   101.39
_cell_angle_beta   90.0
_cell_angle_gamma   109.21
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiHg2Pt
_chemical_formula_sum   'Ni1 Hg2 Pt1'
_cell_volume   70.24
_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
  Ni  Ni0  1  0.0  0.0  0.0  1.0
  Hg  Hg1  1  0.0  0.59  0.05  1.0
  Hg  Hg2  1  0.0  0.7  0.76  1.0
  Pt  Pt3  1  0.0  0.15  0.4  1.0

Ni Hg Hg Pt