data_NaRe2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.85
_cell_length_b   3.85
_cell_length_c   8.36
_cell_angle_alpha   102.21
_cell_angle_beta   102.21
_cell_angle_gamma   44.16
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaRe2Se
_chemical_formula_sum   'Na1 Re2 Se1'
_cell_volume   84.16
_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  0.01  0.0  0.09  1.0
  Re  Re1  1  0.18  0.0  0.68  1.0
  Re  Re2  1  0.87  0.0  0.29  1.0
  Se  Se3  1  0.02  0.0  0.29  1.0

data_NaRe2Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.9
_cell_length_b   3.85
_cell_length_c   8.36
_cell_angle_alpha   102.21
_cell_angle_beta   90.0
_cell_angle_gamma   112.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaRe2Se
_chemical_formula_sum   'Na1 Re2 Se1'
_cell_volume   84.16
_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  0.99  0.91  1.0
  Re  Re1  1  0.0  0.13  0.71  1.0
  Re  Re2  1  0.0  0.82  0.32  1.0
  Se  Se3  1  0.0  0.98  0.71  1.0

Na Re Re Se