data_TaHgMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.02
_cell_length_b   5.02
_cell_length_c   5.29
_cell_angle_alpha   96.32
_cell_angle_beta   96.32
_cell_angle_gamma   32.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaHgMo2
_chemical_formula_sum   'Ta1 Hg1 Mo2'
_cell_volume   70.4
_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  Ta3  1  0.0  0.0  0.0  1.0
  Hg  Hg0  1  0.52  0.0  0.63  1.0
  Mo  Mo1  1  0.11  0.0  0.3  1.0
  Mo  Mo2  1  0.93  0.0  0.96  1.0

data_TaHgMo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.78
_cell_length_b   5.02
_cell_length_c   5.29
_cell_angle_alpha   96.32
_cell_angle_beta   90.0
_cell_angle_gamma   106.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaHgMo2
_chemical_formula_sum   'Ta1 Hg1 Mo2'
_cell_volume   70.4
_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  0.0  0.0  1.0
  Hg  Hg1  1  0.0  0.48  0.37  1.0
  Mo  Mo2  1  0.0  0.07  0.04  1.0
  Mo  Mo3  1  0.0  0.89  0.7  1.0

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