data_ZnRe2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.66
_cell_length_b   4.66
_cell_length_c   5.04
_cell_angle_alpha   99.93
_cell_angle_beta   99.93
_cell_angle_gamma   38.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnRe2Sb
_chemical_formula_sum   'Zn1 Re2 Sb1'
_cell_volume   66.36
_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  Re0  1  0.52  0.0  0.88  1.0
  Re  Re1  1  0.36  0.0  0.08  1.0
  Sb  Sb2  1  0.94  0.0  0.48  1.0

data_ZnRe2Sb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.04
_cell_length_b   4.66
_cell_length_c   5.04
_cell_angle_alpha   99.93
_cell_angle_beta   90.0
_cell_angle_gamma   109.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnRe2Sb
_chemical_formula_sum   'Zn1 Re2 Sb1'
_cell_volume   66.36
_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  0.0  0.48  0.12  1.0
  Re  Re2  1  0.0  0.64  0.92  1.0
  Sb  Sb3  1  0.0  0.06  0.52  1.0

Zn Re Re Sb
Zn Re Re Sb 0 2 o o o 0 3 - o o 0 3 - o - 1 2 o o + 1 3 o o + 1 3 o o o 1 3 - o o 2 3 o o o 2 3 - o o 2 3 - o - 3 3 + - o 