data_NaReW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.76
_cell_length_b   6.76
_cell_length_c   6.76
_cell_angle_alpha   153.33
_cell_angle_beta   153.33
_cell_angle_gamma   38.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaReW
_chemical_formula_sum   'Na1 Re1 W1'
_cell_volume   62.08
_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  0.72  1.0
  Re  Re1  1  0.0  0.0  0.84  1.0
  W  W2  1  0.0  0.0  0.99  1.0

data_NaReW
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.41
_cell_length_b   4.41
_cell_length_c   6.76
_cell_angle_alpha   90.0
_cell_angle_beta   109.04
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NaReW
_chemical_formula_sum   'Na2 Re2 W2'
_cell_volume   124.15
_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  0.0  0.0  0.28  1.0
  Re  Re1  2  0.0  0.0  0.16  1.0
  W  W2  2  0.0  0.0  0.01  1.0

Na Re W
Na Re W 0 1 o o o 1 2 o o o 