data_NaCrBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.74
_cell_length_b   4.74
_cell_length_c   6.96
_cell_angle_alpha   101.43
_cell_angle_beta   101.43
_cell_angle_gamma   46.6
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaCrBi2
_chemical_formula_sum   'Na1 Cr1 Bi2'
_cell_volume   111.0
_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  0.6  0.0  0.4  1.0
  Bi  Bi0  1  1.0  0.0  0.74  1.0
  Bi  Bi1  1  0.21  0.0  0.06  1.0

data_NaCrBi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.75
_cell_length_b   4.74
_cell_length_c   6.96
_cell_angle_alpha   101.43
_cell_angle_beta   90.0
_cell_angle_gamma   113.3
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaCrBi2
_chemical_formula_sum   'Na1 Cr1 Bi2'
_cell_volume   111.0
_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  0.0  1.0
  Cr  Cr1  1  0.0  0.4  0.6  1.0
  Bi  Bi2  1  0.0  0.0  0.26  1.0
  Bi  Bi3  1  0.0  0.79  0.94  1.0

Na Cr Bi Bi