data_NaCuRe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.68
_cell_length_b   7.55
_cell_length_c   2.62
_cell_angle_alpha   82.91
_cell_angle_beta   77.31
_cell_angle_gamma   19.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaCuRe
_chemical_formula_sum   'Na1 Cu1 Re1'
_cell_volume   48.43
_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
  Na  Na1  1  0.56  0.1  0.78  1.0
  Cu  Cu0  1  0.56  0.1  0.62  1.0
  Re  Re2  1  0.56  0.1  0.13  1.0

data_NaCuRe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.12
_cell_length_b   14.77
_cell_length_c   2.62
_cell_angle_alpha   90.0
_cell_angle_beta   126.63
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NaCuRe
_chemical_formula_sum   'Na2 Cu2 Re2'
_cell_volume   96.87
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Na  Na0  2  0.1  0.0  0.66  1.0
  Re  Re1  2  0.1  0.0  0.31  1.0
  Cu  Cu2  2  0.1  0.0  0.82  1.0

Na Cu Re