data_Sr2TcHg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.55
_cell_length_b   5.55
_cell_length_c   5.55
_cell_angle_alpha   122.78
_cell_angle_beta   122.78
_cell_angle_gamma   85.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2TcHg
_chemical_formula_sum   'Sr2 Tc1 Hg1'
_cell_volume   115.19
_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  0.0  0.04  1.0
  Sr  Sr2  1  0.0  0.66  0.04  1.0
  Tc  Tc3  1  0.0  0.0  0.0  1.0
  Hg  Hg0  1  0.0  0.0  0.08  1.0

data_Sr2TcHg
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.51
_cell_length_b   7.51
_cell_length_c   5.55
_cell_angle_alpha   90.0
_cell_angle_beta   132.63
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Sr2TcHg
_chemical_formula_sum   'Sr4 Tc2 Hg2'
_cell_volume   230.39
_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
  Sr  Sr0  4  0.29  0.33  0.62  1.0
  Tc  Tc1  2  0.0  0.0  0.0  1.0
  Hg  Hg2  2  0.42  0.5  0.92  1.0

Sr Sr Tc Hg