data_TcHgIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.61
_cell_length_b   5.61
_cell_length_c   5.61
_cell_angle_alpha   151.41
_cell_angle_beta   129.2
_cell_angle_gamma   59.33
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcHgIr2
_chemical_formula_sum   'Tc1 Hg1 Ir2'
_cell_volume   65.12
_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
  Tc  Tc3  1  0.0  0.0  0.0  1.0
  Hg  Hg0  1  0.0  0.0  0.88  1.0
  Ir  Ir1  1  0.0  0.41  0.62  1.0
  Ir  Ir2  1  0.39  0.0  0.25  1.0

data_TcHgIr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.77
_cell_length_b   4.82
_cell_length_c   5.61
_cell_angle_alpha   115.4
_cell_angle_beta   104.29
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcHgIr2
_chemical_formula_sum   'Tc1 Hg1 Ir2'
_cell_volume   65.12
_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
  Tc  Tc0  1  0.0  0.0  0.0  1.0
  Hg  Hg1  1  0.12  0.12  0.12  1.0
  Ir  Ir2  1  0.13  0.75  0.13  1.0
  Ir  Ir3  1  0.38  0.78  0.78  1.0

Tc Hg Ir Ir