data_TcHgOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.91
_cell_length_b   4.91
_cell_length_c   4.87
_cell_angle_alpha   99.77
_cell_angle_beta   99.77
_cell_angle_gamma   33.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcHgOs2
_chemical_formula_sum   'Tc1 Hg1 Os2'
_cell_volume   63.64
_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  0.27  0.0  0.4  1.0
  Os  Os1  1  0.72  0.0  0.06  1.0
  Os  Os2  1  0.82  0.0  0.73  1.0

data_TcHgOs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.82
_cell_length_b   4.87
_cell_length_c   4.91
_cell_angle_alpha   99.77
_cell_angle_beta   106.72
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcHgOs2
_chemical_formula_sum   'Tc1 Hg1 Os2'
_cell_volume   63.64
_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  0.0  0.0  1.0
  Hg  Hg1  1  0.0  0.4  0.27  1.0
  Os  Os2  1  0.0  0.06  0.72  1.0
  Os  Os3  1  0.0  0.73  0.82  1.0

Tc Hg Os Os
Tc Hg Os Os 0 3 - o - 0 2 - o o 0 1 o o o 2 3 o o - 