data_NaMgRe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.5
_cell_length_b   5.5
_cell_length_c   2.64
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   122.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaMgRe2
_chemical_formula_sum   'Na1 Mg1 Re2'
_cell_volume   66.95
_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  0.0  0.0  0.0  1.0
  Mg  Mg0  1  0.63  0.0  0.0  1.0
  Re  Re2  1  0.31  0.42  0.32  1.0
  Re  Re3  1  0.31  0.58  0.32  1.0

data_NaMgRe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.64
_cell_length_b   5.25
_cell_length_c   5.5
_cell_angle_alpha   118.52
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaMgRe2
_chemical_formula_sum   'Na1 Mg1 Re2'
_cell_volume   66.95
_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  Na0  1  0.0  0.0  0.0  1.0
  Mg  Mg1  1  0.0  0.0  0.63  1.0
  Re  Re2  1  0.32  0.42  0.73  1.0
  Re  Re3  1  0.32  0.58  0.9  1.0

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