data_TcHgIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.9
_cell_length_b   4.9
_cell_length_c   4.9
_cell_angle_alpha   132.31
_cell_angle_beta   132.31
_cell_angle_gamma   69.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcHgIr2
_chemical_formula_sum   'Tc1 Hg1 Ir2'
_cell_volume   63.08
_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  0.02  1.0
  Ir  Ir1  1  0.0  0.98  0.01  1.0
  Ir  Ir2  1  0.98  0.0  0.01  1.0

data_TcHgIr2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.6
_cell_length_b   5.6
_cell_length_c   4.9
_cell_angle_alpha   90.0
_cell_angle_beta   124.87
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TcHgIr2
_chemical_formula_sum   'Tc2 Hg2 Ir4'
_cell_volume   126.16
_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
  Tc  Tc0  2  0.0  0.0  0.0  1.0
  Hg  Hg1  2  0.0  0.0  0.02  1.0
  Ir  Ir2  4  0.01  0.01  0.03  1.0

Tc Hg Ir Ir