data_TcHg2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.84
_cell_length_b   4.84
_cell_length_c   5.26
_cell_angle_alpha   98.25
_cell_angle_beta   98.25
_cell_angle_gamma   35.27
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcHg2Os
_chemical_formula_sum   'Tc1 Hg2 Os1'
_cell_volume   70.51
_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  0.78  0.0  0.51  1.0
  Hg  Hg0  1  0.26  0.0  0.19  1.0
  Hg  Hg1  1  0.67  0.0  0.91  1.0
  Os  Os2  1  0.17  0.0  0.39  1.0

data_TcHg2Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.94
_cell_length_b   4.84
_cell_length_c   5.26
_cell_angle_alpha   98.25
_cell_angle_beta   90.0
_cell_angle_gamma   107.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcHg2Os
_chemical_formula_sum   'Tc1 Hg2 Os1'
_cell_volume   70.51
_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  0.22  0.49  1.0
  Hg  Hg1  1  0.0  0.33  0.09  1.0
  Hg  Hg2  1  0.0  0.74  0.81  1.0
  Os  Os3  1  0.0  0.83  0.61  1.0

Tc Hg Hg Os