data_CrBi2B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.72
_cell_length_b   7.72
_cell_length_c   7.72
_cell_angle_alpha   27.09
_cell_angle_beta   27.09
_cell_angle_gamma   27.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrBi2B
_chemical_formula_sum   'Cr1 Bi2 B1'
_cell_volume   84.1
_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
  Cr  Cr3  1  0.0  0.0  0.22  1.0
  Bi  Bi1  1  0.0  0.0  0.82  1.0
  Bi  Bi2  1  0.0  0.0  0.76  1.0
  B  B0  1  0.0  0.0  0.63  1.0

data_CrBi2B
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.26
_cell_length_b   3.62
_cell_length_c   7.72
_cell_angle_alpha   90.0
_cell_angle_beta   105.69
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CrBi2B
_chemical_formula_sum   'Cr2 Bi4 B2'
_cell_volume   168.21
_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
  Cr  Cr0  2  0.0  0.0  0.78  1.0
  Bi  Bi1  2  -0.0  0.0  0.24  1.0
  Bi  Bi2  2  -0.0  0.0  0.18  1.0
  B  B3  2  -0.0  0.0  0.37  1.0

Cr Bi Bi B