data_TcHgMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.56
_cell_length_b   9.56
_cell_length_c   9.56
_cell_angle_alpha   17.27
_cell_angle_beta   17.27
_cell_angle_gamma   17.27
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcHgMo2
_chemical_formula_sum   'Tc1 Hg1 Mo2'
_cell_volume   67.15
_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  0.12  1.0
  Mo  Mo1  1  0.0  0.0  0.25  1.0
  Mo  Mo2  1  0.0  0.0  0.99  1.0

data_TcHgMo2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.97
_cell_length_b   2.87
_cell_length_c   9.56
_cell_angle_alpha   90.0
_cell_angle_beta   99.98
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TcHgMo2
_chemical_formula_sum   'Tc2 Hg2 Mo4'
_cell_volume   134.31
_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  0.88  1.0
  Mo  Mo2  2  0.0  0.0  0.01  1.0
  Mo  Mo3  2  0.0  0.0  0.75  1.0

Tc Hg Mo Mo