data_MgZnRe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.13
_cell_length_b   5.13
_cell_length_c   2.65
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   117.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgZnRe2
_chemical_formula_sum   'Mg1 Zn1 Re2'
_cell_volume   61.62
_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
  Mg  Mg0  1  0.0  0.0  0.0  1.0
  Zn  Zn3  1  0.65  0.0  0.0  1.0
  Re  Re1  1  0.32  0.2  0.32  1.0
  Re  Re2  1  0.32  0.8  0.32  1.0

data_MgZnRe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.65
_cell_length_b   5.13
_cell_length_c   5.13
_cell_angle_alpha   117.94
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgZnRe2
_chemical_formula_sum   'Mg1 Zn1 Re2'
_cell_volume   61.62
_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
  Mg  Mg0  1  0.0  0.0  0.0  1.0
  Zn  Zn1  1  -0.0  0.65  0.0  1.0
  Re  Re2  1  0.32  0.32  0.8  1.0
  Re  Re3  1  0.32  0.32  0.2  1.0

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