data_NbCrBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.33
_cell_length_b   3.33
_cell_length_c   8.54
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   105.88
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbCrBi2
_chemical_formula_sum   'Nb1 Cr1 Bi2'
_cell_volume   91.2
_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
  Nb  Nb3  1  0.0  0.0  0.27  1.0
  Cr  Cr2  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.01  0.0  0.43  1.0
  Bi  Bi1  1  0.01  0.0  0.1  1.0

data_NbCrBi2
_symmetry_space_group_name_H-M   Cmm2
_cell_length_a   4.02
_cell_length_b   5.32
_cell_length_c   8.54
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   35
_chemical_formula_structural   NbCrBi2
_chemical_formula_sum   'Nb2 Cr2 Bi4'
_cell_volume   182.39
_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, y, z'
  4  'x, -y, z'
  5  'x+1/2, y+1/2, z'
  6  '-x+1/2, -y+1/2, z'
  7  '-x+1/2, y+1/2, z'
  8  '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
  Nb  Nb0  2  0.0  0.0  0.73  1.0
  Cr  Cr1  2  0.0  0.0  0.0  1.0
  Bi  Bi2  2  0.0  0.0  0.57  1.0
  Bi  Bi3  2  0.0  0.0  0.9  1.0

Nb Cr Bi Bi
Nb Cr Bi Bi 0 3 o o o 0 2 o o o 1 3 o o o 