data_Sr2TcHg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.46
_cell_length_b   3.89
_cell_length_c   8.29
_cell_angle_alpha   90.0
_cell_angle_beta   90.72
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2TcHg
_chemical_formula_sum   'Sr2 Tc1 Hg1'
_cell_volume   111.47
_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
  Sr  Sr1  1  0.66  0.94  0.42  1.0
  Sr  Sr2  1  0.69  0.94  0.87  1.0
  Tc  Tc3  1  0.0  0.0  0.0  1.0
  Hg  Hg0  1  0.95  0.0  0.15  1.0

data_Sr2TcHg
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.46
_cell_length_b   3.89
_cell_length_c   8.29
_cell_angle_alpha   90.0
_cell_angle_beta   90.72
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2TcHg
_chemical_formula_sum   'Sr2 Tc1 Hg1'
_cell_volume   111.47
_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
  Sr  Sr0  1  0.66  0.94  0.42  1.0
  Sr  Sr1  1  0.69  0.94  0.87  1.0
  Tc  Tc2  1  0.0  0.0  0.0  1.0
  Hg  Hg3  1  0.95  0.0  0.15  1.0

Sr Sr Tc Hg