data_Ta2HgPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.03
_cell_length_b   5.03
_cell_length_c   5.14
_cell_angle_alpha   101.47
_cell_angle_beta   101.47
_cell_angle_gamma   34.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2HgPt
_chemical_formula_sum   'Ta2 Hg1 Pt1'
_cell_volume   72.51
_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
  Ta  Ta2  1  0.53  0.0  0.97  1.0
  Ta  Ta3  1  0.82  0.0  0.21  1.0
  Hg  Hg0  1  0.26  0.0  0.5  1.0
  Pt  Pt1  1  0.7  0.0  0.88  1.0

data_Ta2HgPt
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.01
_cell_length_b   5.03
_cell_length_c   5.14
_cell_angle_alpha   101.47
_cell_angle_beta   90.0
_cell_angle_gamma   107.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2HgPt
_chemical_formula_sum   'Ta2 Hg1 Pt1'
_cell_volume   72.51
_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
  Ta  Ta0  1  0.0  0.18  0.79  1.0
  Ta  Ta1  1  0.0  0.47  0.03  1.0
  Hg  Hg2  1  0.0  0.74  0.5  1.0
  Pt  Pt3  1  0.0  0.3  0.12  1.0

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