data_MnTcHg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.98
_cell_length_b   4.98
_cell_length_c   4.95
_cell_angle_alpha   99.61
_cell_angle_beta   99.61
_cell_angle_gamma   33.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnTcHg2
_chemical_formula_sum   'Mn1 Tc1 Hg2'
_cell_volume   66.63
_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
  Mn  Mn2  1  0.35  0.0  0.46  1.0
  Tc  Tc3  1  0.73  0.0  0.63  1.0
  Hg  Hg0  1  0.67  0.0  0.86  1.0
  Hg  Hg1  1  0.94  0.0  0.23  1.0

data_MnTcHg2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.87
_cell_length_b   4.95
_cell_length_c   4.98
_cell_angle_alpha   99.61
_cell_angle_beta   106.73
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnTcHg2
_chemical_formula_sum   'Mn1 Tc1 Hg2'
_cell_volume   66.63
_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
  Mn  Mn0  1  0.0  0.46  0.35  1.0
  Tc  Tc1  1  0.0  0.63  0.73  1.0
  Hg  Hg2  1  0.0  0.23  0.94  1.0
  Hg  Hg3  1  0.0  0.86  0.67  1.0

Mn Tc Hg Hg