data_Re2TeIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.91
_cell_length_b   4.17
_cell_length_c   5.67
_cell_angle_alpha   90.0
_cell_angle_beta   104.32
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Re2TeIr
_chemical_formula_sum   'Re2 Te1 Ir1'
_cell_volume   66.76
_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  0.16  0.0  0.04  1.0
  Re  Re2  1  0.6  0.09  0.22  1.0
  Te  Te3  1  0.75  0.0  0.89  1.0
  Ir  Ir0  1  0.2  0.09  0.1  1.0

data_Re2TeIr
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.91
_cell_length_b   4.17
_cell_length_c   5.67
_cell_angle_alpha   90.0
_cell_angle_beta   104.32
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Re2TeIr
_chemical_formula_sum   'Re2 Te1 Ir1'
_cell_volume   66.76
_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  0.16  0.0  0.04  1.0
  Re  Re1  1  0.6  0.09  0.22  1.0
  Te  Te2  1  0.75  0.0  0.89  1.0
  Ir  Ir3  1  0.2  0.09  0.1  1.0

Re Re Te Ir