data_TcHg2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.53
_cell_length_b   5.53
_cell_length_c   2.81
_cell_angle_alpha   98.0
_cell_angle_beta   98.0
_cell_angle_gamma   118.9
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcHg2Mo
_chemical_formula_sum   'Tc1 Hg2 Mo1'
_cell_volume   72.19
_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  0.81  0.0  0.0  1.0
  Hg  Hg0  1  0.02  0.62  0.35  1.0
  Hg  Hg1  1  0.02  0.38  0.35  1.0
  Mo  Mo2  1  0.0  0.0  0.0  1.0

data_TcHg2Mo
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.81
_cell_length_b   5.53
_cell_length_c   5.53
_cell_angle_alpha   118.9
_cell_angle_beta   98.0
_cell_angle_gamma   98.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcHg2Mo
_chemical_formula_sum   'Tc1 Hg2 Mo1'
_cell_volume   72.19
_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  0.81  0.0  1.0
  Hg  Hg1  1  0.35  0.02  0.38  1.0
  Hg  Hg2  1  0.35  0.02  0.62  1.0
  Mo  Mo3  1  0.0  0.0  0.0  1.0

Tc Hg Hg Mo