data_NaHgPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.15
_cell_length_b   5.15
_cell_length_c   5.15
_cell_angle_alpha   133.42
_cell_angle_beta   133.42
_cell_angle_gamma   67.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaHgPt2
_chemical_formula_sum   'Na1 Hg1 Pt2'
_cell_volume   70.98
_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
  Na  Na1  1  0.0  0.0  0.0  1.0
  Hg  Hg0  1  0.0  0.0  0.27  1.0
  Pt  Pt2  1  0.0  0.04  0.14  1.0
  Pt  Pt3  1  0.04  0.0  0.14  1.0

data_NaHgPt2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.76
_cell_length_b   5.76
_cell_length_c   5.15
_cell_angle_alpha   90.0
_cell_angle_beta   123.99
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NaHgPt2
_chemical_formula_sum   'Na2 Hg2 Pt4'
_cell_volume   141.96
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Na  Na0  2  0.0  0.0  0.0  1.0
  Hg  Hg1  2  0.23  0.5  0.73  1.0
  Pt  Pt2  4  0.38  0.48  0.9  1.0

Na Hg Pt Pt
Na Hg Pt Pt 0 2 o o o 0 3 o o o 1 2 o o o 1 3 o o o 2 3 o o o 