data_SrHg2Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.9
_cell_length_b   6.9
_cell_length_c   4.62
_cell_angle_alpha   106.13
_cell_angle_beta   106.13
_cell_angle_gamma   38.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrHg2Te
_chemical_formula_sum   'Sr1 Hg2 Te1'
_cell_volume   131.85
_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  Sr2  1  0.0  0.0  0.0  1.0
  Hg  Hg0  1  0.42  0.0  0.1  1.0
  Hg  Hg1  1  0.22  0.0  0.31  1.0
  Te  Te3  1  0.82  0.0  0.21  1.0

data_SrHg2Te
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.6
_cell_length_b   4.62
_cell_length_c   6.9
_cell_angle_alpha   106.13
_cell_angle_beta   109.46
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrHg2Te
_chemical_formula_sum   'Sr1 Hg2 Te1'
_cell_volume   131.85
_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  0.0  0.0  0.0  1.0
  Hg  Hg1  1  0.0  0.1  0.42  1.0
  Hg  Hg2  1  0.0  0.31  0.22  1.0
  Te  Te3  1  0.0  0.21  0.82  1.0

Sr Hg Hg Te