data_TcHg2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.27
_cell_length_b   10.27
_cell_length_c   10.27
_cell_angle_alpha   16.13
_cell_angle_beta   16.13
_cell_angle_gamma   16.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcHg2Os
_chemical_formula_sum   'Tc1 Hg2 Os1'
_cell_volume   72.81
_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  0.06  1.0
  Hg  Hg0  1  0.0  0.0  0.26  1.0
  Hg  Hg1  1  0.0  0.0  0.36  1.0
  Os  Os2  1  0.0  0.0  0.91  1.0

data_TcHg2Os
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.99
_cell_length_b   2.88
_cell_length_c   10.27
_cell_angle_alpha   90.0
_cell_angle_beta   99.32
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TcHg2Os
_chemical_formula_sum   'Tc2 Hg4 Os2'
_cell_volume   145.62
_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  0.94  1.0
  Hg  Hg1  2  0.0  0.0  0.64  1.0
  Hg  Hg2  2  0.0  0.0  0.74  1.0
  Os  Os3  2  0.0  0.0  0.09  1.0

Tc Hg Hg Os