data_NaRe2Si
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.75
_cell_length_b   4.3
_cell_length_c   6.25
_cell_angle_alpha   90.0
_cell_angle_beta   101.38
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaRe2Si
_chemical_formula_sum   'Na1 Re2 Si1'
_cell_volume   72.58
_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  0.84  0.0  0.45  1.0
  Re  Re1  1  0.62  0.15  0.59  1.0
  Re  Re2  1  0.32  0.0  0.42  1.0
  Si  Si3  1  0.25  0.15  0.74  1.0

data_NaRe2Si
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.75
_cell_length_b   4.3
_cell_length_c   6.25
_cell_angle_alpha   90.0
_cell_angle_beta   101.38
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaRe2Si
_chemical_formula_sum   'Na1 Re2 Si1'
_cell_volume   72.58
_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  0.84  0.0  0.45  1.0
  Si  Si1  1  0.25  0.15  0.74  1.0
  Re  Re2  1  0.32  0.0  0.42  1.0
  Re  Re3  1  0.62  0.15  0.59  1.0

Na Re Re Si
Na Re Re Si 0 2 o o o 0 2 + o o 0 1 o o o 1 2 o o o 1 3 o o o 1 3 + o o 