data_MgAlRe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.87
_cell_length_b   4.87
_cell_length_c   4.87
_cell_angle_alpha   147.65
_cell_angle_beta   129.22
_cell_angle_gamma   61.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgAlRe
_chemical_formula_sum   'Mg1 Al1 Re1'
_cell_volume   47.36
_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
  Mg  Mg1  1  0.0  0.0  0.6  1.0
  Al  Al0  1  0.0  0.0  0.29  1.0
  Re  Re2  1  0.0  0.0  0.84  1.0

data_MgAlRe
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.71
_cell_length_b   4.17
_cell_length_c   4.87
_cell_angle_alpha   115.39
_cell_angle_beta   106.17
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgAlRe
_chemical_formula_sum   'Mg1 Al1 Re1'
_cell_volume   47.36
_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
  Mg  Mg0  1  0.0  0.6  0.6  1.0
  Al  Al1  1  0.0  0.29  0.29  1.0
  Re  Re2  1  0.0  0.84  0.84  1.0

Mg Al Re
Mg Al Re 0 2 o o o 0 1 o o o 