data_MgCu2Re
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.63
_cell_length_b   4.31
_cell_length_c   5.08
_cell_angle_alpha   90.0
_cell_angle_beta   101.8
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgCu2Re
_chemical_formula_sum   'Mg1 Cu2 Re1'
_cell_volume   56.34
_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  Mg2  1  0.88  0.0  0.33  1.0
  Cu  Cu0  1  0.2  0.0  0.87  1.0
  Cu  Cu1  1  0.11  0.16  0.31  1.0
  Re  Re3  1  0.77  0.16  0.93  1.0

data_MgCu2Re
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.63
_cell_length_b   4.31
_cell_length_c   5.08
_cell_angle_alpha   90.0
_cell_angle_beta   101.8
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgCu2Re
_chemical_formula_sum   'Mg1 Cu2 Re1'
_cell_volume   56.34
_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  0.88  0.0  0.33  1.0
  Cu  Cu1  1  0.11  0.16  0.31  1.0
  Cu  Cu2  1  0.2  0.0  0.87  1.0
  Re  Re3  1  0.77  0.16  0.93  1.0

Mg Cu Cu Re
Mg Cu Cu Re 0 2 + o o 1 3 - o o 1 3 o o o 