data_TcHg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.87
_cell_length_b   2.87
_cell_length_c   10.15
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   117.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcHg
_chemical_formula_sum   'Tc2 Hg2'
_cell_volume   74.04
_cell_formula_units_Z   2
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  Tc2  1  0.48  0.77  0.06  1.0
  Tc  Tc3  1  0.48  0.23  0.09  1.0
  Hg  Hg0  1  0.48  0.77  0.68  1.0
  Hg  Hg1  1  0.48  0.23  0.47  1.0

data_TcHg
_symmetry_space_group_name_H-M   C2/m
_cell_length_a   2.87
_cell_length_b   5.08
_cell_length_c   10.15
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   12
_chemical_formula_structural   TcHg
_chemical_formula_sum   'Tc4 Hg4'
_cell_volume   148.18
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, -z'
  3  '-x, y, -z'
  4  'x, -y, z'
  5  'x+1/2, y+1/2, z'
  6  '-x+1/2, -y+1/2, -z'
  7  '-x+1/2, y+1/2, -z'
  8  '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  4  0.23  0.0  0.01  1.0
  Hg  Hg1  4  0.23  0.0  0.39  1.0

Tc Tc Hg Hg