data_CuHg2Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.77
_cell_length_b   4.77
_cell_length_c   4.43
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   105.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuHg2Te
_chemical_formula_sum   'Cu1 Hg2 Te1'
_cell_volume   97.22
_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
  Cu  Cu0  1  0.0  0.0  0.0  1.0
  Hg  Hg1  1  0.89  0.79  0.21  1.0
  Hg  Hg2  1  0.89  0.21  0.21  1.0
  Te  Te3  1  0.89  0.0  0.0  1.0

data_CuHg2Te
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.43
_cell_length_b   4.77
_cell_length_c   4.77
_cell_angle_alpha   105.31
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuHg2Te
_chemical_formula_sum   'Cu1 Hg2 Te1'
_cell_volume   97.22
_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
  Cu  Cu0  1  0.0  0.0  0.0  1.0
  Hg  Hg1  1  0.21  0.89  0.21  1.0
  Hg  Hg2  1  0.21  0.89  0.79  1.0
  Te  Te3  1  0.0  0.89  0.0  1.0

Cu Hg Hg Te