data_ZnRe2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.75
_cell_length_b   4.75
_cell_length_c   4.75
_cell_angle_alpha   131.72
_cell_angle_beta   131.72
_cell_angle_gamma   70.67
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnRe2Ir
_chemical_formula_sum   'Zn1 Re2 Ir1'
_cell_volume   58.54
_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
  Zn  Zn3  1  0.0  0.0  0.0  1.0
  Re  Re1  1  0.0  0.0  0.88  1.0
  Re  Re2  1  0.0  0.94  0.94  1.0
  Ir  Ir0  1  0.94  0.0  0.94  1.0

data_ZnRe2Ir
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.89
_cell_length_b   3.89
_cell_length_c   4.75
_cell_angle_alpha   114.14
_cell_angle_beta   114.14
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnRe2Ir
_chemical_formula_sum   'Zn1 Re2 Ir1'
_cell_volume   58.54
_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
  Zn  Zn0  1  0.0  0.0  0.0  1.0
  Re  Re1  1  0.88  0.88  0.88  1.0
  Re  Re2  1  0.99  0.94  0.99  1.0
  Ir  Ir3  1  0.94  0.99  0.99  1.0

Zn Re Re Ir
Zn Re Re Ir 0 3 - o - 0 2 o - - 0 1 o o - 1 3 - o o 1 2 o - o 