data_ReHgTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.99
_cell_length_b   3.99
_cell_length_c   9.11
_cell_angle_alpha   97.29
_cell_angle_beta   97.29
_cell_angle_gamma   50.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReHgTe2
_chemical_formula_sum   'Re1 Hg1 Te2'
_cell_volume   111.15
_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  Re1  1  0.0  0.0  0.0  1.0
  Hg  Hg0  1  0.97  0.0  0.51  1.0
  Te  Te2  1  0.95  0.0  0.45  1.0
  Te  Te3  1  0.99  0.0  0.57  1.0

data_ReHgTe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.42
_cell_length_b   3.99
_cell_length_c   9.11
_cell_angle_alpha   97.29
_cell_angle_beta   90.0
_cell_angle_gamma   115.33
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReHgTe2
_chemical_formula_sum   'Re1 Hg1 Te2'
_cell_volume   111.15
_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  0.0  0.0  0.0  1.0
  Hg  Hg1  1  0.0  0.03  0.49  1.0
  Te  Te2  1  0.0  0.01  0.43  1.0
  Te  Te3  1  0.0  0.05  0.55  1.0

Re Hg Te Te