data_NaSrRe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.97
_cell_length_b   5.97
_cell_length_c   2.71
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   126.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaSrRe2
_chemical_formula_sum   'Na1 Sr1 Re2'
_cell_volume   77.71
_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
  Sr  Sr3  1  0.69  0.0  0.0  1.0
  Re  Re1  1  0.35  0.66  0.35  1.0
  Re  Re2  1  0.35  0.34  0.35  1.0

data_NaSrRe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.71
_cell_length_b   5.39
_cell_length_c   5.97
_cell_angle_alpha   116.85
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaSrRe2
_chemical_formula_sum   'Na1 Sr1 Re2'
_cell_volume   77.71
_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
  Sr  Sr1  1  0.0  0.0  0.69  1.0
  Re  Re2  1  0.35  0.34  0.69  1.0
  Re  Re3  1  0.35  0.66  0.01  1.0

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