data_SrHg2Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.36
_cell_length_b   5.36
_cell_length_c   6.17
_cell_angle_alpha   108.54
_cell_angle_beta   108.54
_cell_angle_gamma   51.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrHg2Te
_chemical_formula_sum   'Sr1 Hg2 Te1'
_cell_volume   130.19
_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  Sr2  1  0.77  0.0  0.86  1.0
  Hg  Hg0  1  0.97  0.0  0.29  1.0
  Hg  Hg1  1  0.71  0.0  0.14  1.0
  Te  Te3  1  0.75  0.0  0.36  1.0

data_SrHg2Te
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.68
_cell_length_b   5.36
_cell_length_c   6.17
_cell_angle_alpha   108.54
_cell_angle_beta   90.0
_cell_angle_gamma   115.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrHg2Te
_chemical_formula_sum   'Sr1 Hg2 Te1'
_cell_volume   130.19
_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  Sr0  1  0.0  0.23  0.14  1.0
  Hg  Hg1  1  0.0  0.03  0.71  1.0
  Hg  Hg2  1  0.0  0.29  0.86  1.0
  Te  Te3  1  0.0  0.25  0.64  1.0

Sr Hg Hg Te