data_InRe2Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.98
_cell_length_b   2.98
_cell_length_c   9.47
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   117.33
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InRe2Te
_chemical_formula_sum   'In1 Re2 Te1'
_cell_volume   74.64
_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
  In  In0  1  0.0  0.0  0.0  1.0
  Re  Re1  1  0.55  0.0  0.33  1.0
  Re  Re2  1  0.55  0.0  0.14  1.0
  Te  Te3  1  0.0  0.0  0.73  1.0

data_InRe2Te
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.98
_cell_length_b   2.98
_cell_length_c   9.47
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   117.33
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InRe2Te
_chemical_formula_sum   'In1 Re2 Te1'
_cell_volume   74.64
_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
  In  In0  1  0.0  0.0  0.0  1.0
  Re  Re1  1  0.55  0.0  0.14  1.0
  Re  Re2  1  0.55  0.0  0.33  1.0
  Te  Te3  1  0.0  0.0  0.73  1.0

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