data_TcHg5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.26
_cell_length_b   7.26
_cell_length_c   7.49
_cell_angle_alpha   118.35
_cell_angle_beta   118.35
_cell_angle_gamma   23.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcHg5
_chemical_formula_sum   'Tc1 Hg5'
_cell_volume   136.92
_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  Tc5  1  0.29  0.0  0.37  1.0
  Hg  Hg0  1  0.19  0.0  0.37  1.0
  Hg  Hg1  1  0.65  0.0  0.34  1.0
  Hg  Hg2  1  0.16  0.0  0.15  1.0
  Hg  Hg3  1  0.33  0.0  0.69  1.0
  Hg  Hg4  1  0.37  0.0  0.81  1.0

data_TcHg5
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.94
_cell_length_b   7.26
_cell_length_c   7.49
_cell_angle_alpha   118.35
_cell_angle_beta   90.0
_cell_angle_gamma   101.7
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcHg5
_chemical_formula_sum   'Tc1 Hg5'
_cell_volume   136.92
_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  0.71  0.63  1.0
  Hg  Hg1  1  0.0  0.35  0.66  1.0
  Hg  Hg2  1  0.0  0.63  0.19  1.0
  Hg  Hg3  1  0.0  0.67  0.31  1.0
  Hg  Hg4  1  0.0  0.81  0.63  1.0
  Hg  Hg5  1  0.0  0.84  0.85  1.0

Tc Hg Hg Hg Hg Hg