data_MgAlRe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.84
_cell_length_b   4.84
_cell_length_c   4.82
_cell_angle_alpha   101.32
_cell_angle_beta   101.32
_cell_angle_gamma   34.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgAlRe2
_chemical_formula_sum   'Mg1 Al1 Re2'
_cell_volume   61.87
_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  Mg1  1  0.0  0.0  0.0  1.0
  Al  Al0  1  0.14  0.0  0.36  1.0
  Re  Re2  1  0.76  0.0  0.2  1.0
  Re  Re3  1  0.52  0.0  0.51  1.0

data_MgAlRe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.84
_cell_length_b   4.82
_cell_length_c   4.84
_cell_angle_alpha   101.32
_cell_angle_beta   107.02
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgAlRe2
_chemical_formula_sum   'Mg1 Al1 Re2'
_cell_volume   61.87
_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
  Al  Al1  1  0.0  0.36  0.14  1.0
  Re  Re2  1  0.0  0.2  0.76  1.0
  Re  Re3  1  0.0  0.51  0.52  1.0

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