data_ReAg2Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.1
_cell_length_b   5.29
_cell_length_c   4.65
_cell_angle_alpha   90.0
_cell_angle_beta   90.56
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReAg2Te
_chemical_formula_sum   'Re1 Ag2 Te1'
_cell_volume   76.3
_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  0.53  0.0  0.32  1.0
  Ag  Ag0  1  0.74  0.65  0.2  1.0
  Ag  Ag1  1  0.32  0.65  0.45  1.0
  Te  Te3  1  0.0  0.0  0.0  1.0

data_ReAg2Te
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.1
_cell_length_b   4.65
_cell_length_c   5.29
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReAg2Te
_chemical_formula_sum   'Re1 Ag2 Te1'
_cell_volume   76.3
_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  0.47  0.68  0.0  1.0
  Ag  Ag1  1  0.26  0.8  0.35  1.0
  Ag  Ag2  1  0.68  0.55  0.35  1.0
  Te  Te3  1  0.0  0.0  0.0  1.0

Re Ag Ag Te
Re Ag Ag Te 0 2 o - o 0 3 o o o 0 3 + o o 0 1 o - o 1 2 o o o 1 2 + o o 1 3 + + o 