data_Ba2CrBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.44
_cell_length_b   5.44
_cell_length_c   7.86
_cell_angle_alpha   108.14
_cell_angle_beta   108.14
_cell_angle_gamma   54.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2CrBi
_chemical_formula_sum   'Ba2 Cr1 Bi1'
_cell_volume   177.61
_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
  Ba  Ba0  1  0.33  0.0  0.41  1.0
  Ba  Ba1  1  0.57  0.0  0.95  1.0
  Cr  Cr3  1  0.0  0.0  0.0  1.0
  Bi  Bi2  1  0.45  0.0  0.68  1.0

data_Ba2CrBi
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.0
_cell_length_b   5.44
_cell_length_c   7.86
_cell_angle_alpha   108.14
_cell_angle_beta   90.0
_cell_angle_gamma   117.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2CrBi
_chemical_formula_sum   'Ba2 Cr1 Bi1'
_cell_volume   177.61
_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
  Ba  Ba0  1  0.0  0.43  0.05  1.0
  Ba  Ba1  1  0.0  0.67  0.59  1.0
  Cr  Cr2  1  0.0  0.0  0.0  1.0
  Bi  Bi3  1  0.0  0.55  0.32  1.0

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