data_YTcHg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.68
_cell_length_b   5.65
_cell_length_c   3.52
_cell_angle_alpha   72.4
_cell_angle_beta   71.41
_cell_angle_gamma   36.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YTcHg
_chemical_formula_sum   'Y1 Tc1 Hg1'
_cell_volume   63.03
_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
  Y  Y2  1  0.45  0.53  0.28  1.0
  Tc  Tc1  1  0.45  0.53  0.71  1.0
  Hg  Hg0  1  0.45  0.53  0.2  1.0

data_YTcHg
_symmetry_space_group_name_H-M   Imm2
_cell_length_a   3.52
_cell_length_b   10.18
_cell_length_c   3.52
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   44
_chemical_formula_structural   YTcHg
_chemical_formula_sum   'Y2 Tc2 Hg2'
_cell_volume   126.12
_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, y, z'
  4  'x, -y, z'
  5  'x+1/2, y+1/2, z+1/2'
  6  '-x+1/2, -y+1/2, z+1/2'
  7  '-x+1/2, y+1/2, z+1/2'
  8  'x+1/2, -y+1/2, z+1/2'
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
  Y  Y0  2  0.0  0.5  0.73  1.0
  Tc  Tc1  2  0.0  0.5  0.16  1.0
  Hg  Hg2  2  0.0  0.5  0.65  1.0

Y Tc Hg
Y Tc Hg 0 2 o o o 0 1 o o o 1 2 o o o 1 2 o o + 