data_ReHg2Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.21
_cell_length_b   3.38
_cell_length_c   7.18
_cell_angle_alpha   90.0
_cell_angle_beta   104.77
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReHg2Te
_chemical_formula_sum   'Re1 Hg2 Te1'
_cell_volume   98.5
_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
  Re  Re2  1  0.99  0.69  0.98  1.0
  Hg  Hg0  1  0.12  0.69  0.76  1.0
  Hg  Hg1  1  0.9  0.0  0.63  1.0
  Te  Te3  1  0.93  0.0  0.97  1.0

data_ReHg2Te
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.38
_cell_length_b   4.21
_cell_length_c   7.18
_cell_angle_alpha   104.77
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReHg2Te
_chemical_formula_sum   'Re1 Hg2 Te1'
_cell_volume   98.5
_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
  Re  Re0  1  0.31  0.01  0.02  1.0
  Hg  Hg1  1  0.0  0.1  0.37  1.0
  Hg  Hg2  1  0.31  0.88  0.24  1.0
  Te  Te3  1  0.0  0.07  0.03  1.0

Re Hg Hg Te