data_Na2ReBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.05
_cell_length_b   6.05
_cell_length_c   6.05
_cell_angle_alpha   140.16
_cell_angle_beta   140.16
_cell_angle_gamma   57.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2ReBi
_chemical_formula_sum   'Na2 Re1 Bi1'
_cell_volume   89.88
_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  0.06  0.65  1.0
  Na  Na2  1  0.06  0.0  0.65  1.0
  Re  Re3  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.0  0.0  0.3  1.0

data_Na2ReBi
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.83
_cell_length_b   5.83
_cell_length_c   6.05
_cell_angle_alpha   90.0
_cell_angle_beta   118.8
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Na2ReBi
_chemical_formula_sum   'Na4 Re2 Bi2'
_cell_volume   179.77
_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  4  0.12  0.47  0.59  1.0
  Re  Re1  2  0.0  0.0  0.0  1.0
  Bi  Bi2  2  0.3  0.0  0.3  1.0

Na Na Re Bi
Na Na Re Bi 0 1 o o o 0 3 o o o 1 3 o o o 2 3 o o o 