data_Mg2GaRe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.79
_cell_length_b   4.35
_cell_length_c   5.55
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2GaRe
_chemical_formula_sum   'Mg2 Ga1 Re1'
_cell_volume   67.3
_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  0.39  0.18  0.45  1.0
  Mg  Mg2  1  0.39  0.18  0.09  1.0
  Ga  Ga0  1  0.0  0.0  0.0  1.0
  Re  Re3  1  0.0  0.0  0.77  1.0

data_Mg2GaRe
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.79
_cell_length_b   4.35
_cell_length_c   5.55
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2GaRe
_chemical_formula_sum   'Mg2 Ga1 Re1'
_cell_volume   67.3
_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  0.39  0.18  0.09  1.0
  Mg  Mg1  1  0.39  0.18  0.45  1.0
  Ga  Ga2  1  0.0  0.0  0.0  1.0
  Re  Re3  1  0.0  0.0  0.77  1.0

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