data_NaCrBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.16
_cell_length_b   3.16
_cell_length_c   10.72
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   100.21
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaCrBi2
_chemical_formula_sum   'Na1 Cr1 Bi2'
_cell_volume   105.12
_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  Na3  1  0.0  0.0  0.0  1.0
  Cr  Cr2  1  0.02  0.0  0.48  1.0
  Bi  Bi0  1  0.02  0.0  0.23  1.0
  Bi  Bi1  1  0.0  0.0  0.37  1.0

data_NaCrBi2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.84
_cell_length_b   4.05
_cell_length_c   10.72
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NaCrBi2
_chemical_formula_sum   'Na2 Cr2 Bi4'
_cell_volume   210.23
_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  0.0  1.0
  Cr  Cr1  2  0.01  0.0  0.48  1.0
  Bi  Bi2  2  0.0  0.0  0.37  1.0
  Bi  Bi3  2  0.01  0.0  0.23  1.0

Na Cr Bi Bi
Na Cr Bi Bi 0 0 o + o 0 0 + o o 0 2 o o o 1 3 o o o 2 3 o o o 